data_1wjr_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 1wjr _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.446 0.47 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.453 ' CB ' HD13 ' A' ' 110' ' ' LEU . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ARG . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.427 ' CE2' HD12 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.41 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.617 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.427 HD12 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 98' ' ' LEU . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' HG22 ' A' ' 97' ' ' THR . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 16' ' ' SER . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 115' ' ' PHE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 114' ' ' VAL . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 121.445 0.469 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 42' ' ' LEU . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 45' ' ' ARG . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 12' ' ' ILE . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CZ ' HD12 ' A' ' 35' ' ' ILE . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD12 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.619 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.57 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 98' ' ' LEU . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 97' ' ' THR . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.549 HG12 ' CE1' ' A' ' 115' ' ' PHE . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CE1' HG12 ' A' ' 114' ' ' VAL . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.463 0.48 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 110' ' ' LEU . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 13' ' ' THR . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.457 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.518 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 31' ' ' ILE . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 53' ' ' GLU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' N ' ' HG1' ' A' ' 52' ' ' THR . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.444 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.414 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.558 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.551 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 98' ' ' LEU . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' SER . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 115' ' ' PHE . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.508 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.471 0.484 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' CB ' HG23 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 26.3 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' HD11 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.9 tp-100 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 70' ' ' GLY . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.465 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.661 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.463 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 97' ' ' THR . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' SER . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 115' ' ' PHE . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.54 ' CD1' HG11 ' A' ' 114' ' ' VAL . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.457 0.476 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' PRO . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' OE2' ' CE ' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 40.1 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 HD11 ' NE ' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NE ' HD11 ' A' ' 35' ' ' ILE . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' ARG . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 60' ' ' PHE . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 62' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.535 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.658 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 98' ' ' LEU . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 97' ' ' THR . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' LYS . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 115' ' ' PHE . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 121.461 0.478 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' ' CG1' ' A' ' 31' ' ' ILE . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 38.1 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.484 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ARG . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.639 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.658 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.639 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 100' ' ' LYS . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.402 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.406 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 115' ' ' PHE . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE1' HG12 ' A' ' 114' ' ' VAL . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 121.397 0.443 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 45' ' ' ARG . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' THR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.483 ' HB ' ' CZ2' ' A' ' 94' ' ' TRP . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.647 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 98' ' ' LEU . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' N ' HG21 ' A' ' 97' ' ' THR . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.492 HG11 ' CE1' ' A' ' 115' ' ' PHE . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.492 ' CE1' HG11 ' A' ' 114' ' ' VAL . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.431 0.462 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CB ' HG23 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.534 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' TYR . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.511 ' HG2' ' CE2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.511 ' CE2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.559 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 98' ' ' LEU . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' N ' HG21 ' A' ' 97' ' ' THR . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.435 HG23 ' CB ' ' A' ' 11' ' ' LEU . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 121.441 0.467 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.411 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.511 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.42 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.541 HD11 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.571 ' CD ' ' CH2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CH2' ' CD ' ' A' ' 89' ' ' LYS . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 97' ' ' THR . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.556 ' CE1' HG13 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 121.469 0.483 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 32' ' ' VAL . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 2.8 t-20 -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.417 ' C ' HG12 ' A' ' 32' ' ' VAL . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.559 ' CE2' HD12 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 70' ' ' GLY . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 28' ' ' GLN . 22.4 ttp180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.627 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.48 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 97' ' ' THR . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 115' ' ' PHE . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.422 0.457 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.514 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HG13 ' A' ' 18' ' ' ILE . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' TYR . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ARG . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' A' ' 88' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.581 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.616 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' A' ' 55' ' ' TYR . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.558 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' N ' HG21 ' A' ' 97' ' ' THR . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.509 HG12 ' CE1' ' A' ' 115' ' ' PHE . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CE1' HG12 ' A' ' 114' ' ' VAL . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.414 0.452 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 59' ' ' LEU . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' A' ' 28' ' ' GLN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' A' ' 22' ' ' ASP . 35.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 4.1 t-20 -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 37' ' ' ASN . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 57' ' ' GLN . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 44' ' ' LEU . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' CD ' HD23 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 70' ' ' GLY . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.629 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.626 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.629 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.473 ' N ' HG23 ' A' ' 97' ' ' THR . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 115' ' ' PHE . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 114' ' ' VAL . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.469 0.483 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.564 ' CG ' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 42' ' ' LEU . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.446 ' CB ' HD12 ' A' ' 110' ' ' LEU . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 31' ' ' ILE . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 19' ' ' GLU . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 18' ' ' ILE . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 5.7 t-20 -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD1' ' OD1' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.545 ' CZ3' HD12 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 17' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 31' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 ' CZ ' ' A' ' 45' ' ' ARG . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD13 ' CG2' ' A' ' 12' ' ' ILE . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.458 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLU . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.508 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.63 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.508 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.424 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 16' ' ' SER . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' GLU . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.468 0.482 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 17' ' ' LEU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD22 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' NE ' HD22 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' TRP . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.551 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.638 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 55' ' ' TYR . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 98' ' ' LEU . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' N ' HG22 ' A' ' 97' ' ' THR . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' LYS . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 115' ' ' PHE . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CE1' HG12 ' A' ' 114' ' ' VAL . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 121.47 0.483 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' CG1' ' A' ' 114' ' ' VAL . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' OE2' ' CE ' ' A' ' 79' ' ' MET . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.407 ' CG2' HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 37' ' ' ASN . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 HH21 ' CG2' ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 59' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.553 ' CE2' HD11 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 65' ' ' ARG . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD3' ' CD1' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 98' ' ' LEU . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 97' ' ' THR . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' SER . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.536 HG13 ' CE1' ' A' ' 115' ' ' PHE . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.536 ' CE1' HG13 ' A' ' 114' ' ' VAL . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.464 0.48 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 13' ' ' THR . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.44 ' N ' HG21 ' A' ' 12' ' ' ILE . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 26' ' ' PRO . 13.2 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 5.6 t-20 -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.5 tp-100 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.508 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.577 HD13 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.655 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 55' ' ' TYR . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.577 ' CH2' HD13 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 98' ' ' LEU . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 97' ' ' THR . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.415 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 109' ' ' PRO . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 115' ' ' PHE . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' CD1' HG13 ' A' ' 114' ' ' VAL . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.444 0.469 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.447 ' CG2' HD11 ' A' ' 42' ' ' LEU . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' HD13 ' A' ' 110' ' ' LEU . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD21 ' NE2' ' A' ' 57' ' ' GLN . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 49.2 m-20 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' NE2' HD21 ' A' ' 20' ' ' LEU . 20.7 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.559 HD11 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.649 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CZ2' ' CD ' ' A' ' 89' ' ' LYS . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 98' ' ' LEU . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.53 HD11 ' CZ3' ' A' ' 30' ' ' TRP . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 115' ' ' PHE . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 114' ' ' VAL . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.442 0.468 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 19' ' ' GLU . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 18' ' ' ILE . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CD1' HD21 ' A' ' 102' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.4 tp-100 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.45 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 44' ' ' LEU . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.556 HD13 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 55' ' ' TYR . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 98' ' ' LEU . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 ' N ' HG23 ' A' ' 97' ' ' THR . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 31' ' ' ILE . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 115' ' ' PHE . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 114' ' ' VAL . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.451 0.473 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 28.9 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' CD1' HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.549 ' CE2' HD11 ' A' ' 88' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . 0.54 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.533 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.533 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.479 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 ' N ' HG21 ' A' ' 97' ' ' THR . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 100' ' ' LYS . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' SER . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 115' ' ' PHE . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 114' ' ' VAL . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 121.374 0.43 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 17' ' ' LEU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 32' ' ' VAL . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' TYR . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 88' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.626 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 98' ' ' LEU . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' N ' HG23 ' A' ' 97' ' ' THR . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -174.56 121.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -118.23 95.61 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.27 -138.98 10.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -67.35 172.32 5.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -88.42 103.22 15.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.81 -158.03 9.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 HD12 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.453 ' CB ' HD13 ' A' ' 110' ' ' LEU . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.498 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ARG . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.427 ' CE2' HD12 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.498 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.593 ' CE2' HD13 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.41 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.0 p-90 -60.95 -40.22 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 53.2 t -64.16 -14.07 52.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -83.51 0.59 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -98.12 -38.65 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -116.21 -33.46 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' TYR . 1.9 mppt? 58.76 33.15 22.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' LYS . 59.3 m-85 -34.47 -58.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -174.55 109.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.41 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' ' CD1' ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.617 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.427 HD12 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.501 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.574 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 98' ' ' LEU . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' N ' HG22 ' A' ' 97' ' ' THR . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 16' ' ' SER . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.46 HG12 ' CE1' ' A' ' 115' ' ' PHE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 114' ' ' VAL . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -84.09 96.46 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.61 175.13 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.5 ' CD2' ' N ' ' A' ' 119' ' ' ALA . 1.6 t-80 -168.41 139.22 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.5 ' N ' ' CD2' ' A' ' 118' ' ' HIS . . . -165.87 171.13 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 39.2 m-20 -37.89 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.22 13.68 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -64.93 153.71 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.93 165.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.526 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.55 10.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.1 p -146.45 134.08 21.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -71.78 140.75 49.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -120.28 113.8 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -129.34 138.84 51.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.75 -80.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -80.37 140.55 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -54.06 96.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.78 -161.52 17.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 42' ' ' LEU . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 45' ' ' ARG . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 12' ' ' ILE . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.452 ' CZ ' HD12 ' A' ' 35' ' ' ILE . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD12 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 62' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -48.46 -36.35 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.33 -68.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -50.62 -30.94 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -61.67 -34.65 76.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.9 t-20 -119.76 28.12 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 36.09 37.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -62.32 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -98.31 113.9 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 HD11 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.619 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.57 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 98' ' ' LEU . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 97' ' ' THR . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.549 HG12 ' CE1' ' A' ' 115' ' ' PHE . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.549 ' CE1' HG12 ' A' ' 114' ' ' VAL . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -95.78 82.75 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.35 90.57 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -172.14 169.63 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.76 78.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 25.2 t0 48.0 29.64 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -86.67 137.23 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -125.46 165.78 17.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.16 142.51 17.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.15 64.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.7 p -92.22 132.24 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.3 p -57.62 128.96 39.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 61.13 42.28 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -134.4 145.84 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.77 83.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 p -131.09 99.26 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -46.35 150.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.58 -162.57 24.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' O ' ' CD2' ' A' ' 110' ' ' LEU . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 13' ' ' THR . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 HD22 ' CG2' ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' CD ' ' HE2' ' A' ' 79' ' ' MET . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.457 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.518 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' HD22 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 31' ' ' ILE . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.539 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.401 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 53' ' ' GLU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' N ' ' HG1' ' A' ' 52' ' ' THR . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.461 ' CE2' HD11 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.444 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE2' HD22 ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.528 HD22 ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CH2' ' CD2' ' A' ' 77' ' ' TYR . 2.6 p-90 -73.95 -38.33 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' GLN . 17.5 t -69.24 -42.88 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' CYS . 1.8 mp0 -34.8 -52.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.91 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.36 37.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -91.89 -45.66 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.436 ' CD2' ' CH2' ' A' ' 71' ' ' TRP . 10.3 m-85 -135.56 -175.19 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -109.17 136.23 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.414 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.558 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.551 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.558 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 98' ' ' LEU . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' SER . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 11' ' ' LEU . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 115' ' ' PHE . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.508 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.94 -41.01 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 114.72 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.488 ' CE1' HD22 ' A' ' 121' ' ' LEU . 12.1 t-80 -136.85 154.06 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.2 -176.13 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.58 51.43 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.488 HD22 ' CE1' ' A' ' 118' ' ' HIS . 33.7 mt -75.41 -37.18 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -93.49 98.62 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.08 173.32 14.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.95 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 t -161.95 119.89 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.0 p -52.92 166.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -171.31 111.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.13 145.67 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.61 -127.47 9.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 67.85 42.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -96.66 92.99 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 -164.93 38.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' CB ' HG23 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.534 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 26.3 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.503 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.547 ' CE2' HD11 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.9 tp-100 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 70' ' ' GLY . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.433 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.8 p-90 -52.74 -44.13 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 2.9 t -82.12 43.58 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -97.69 -36.94 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.79 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -101.09 34.68 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -98.92 -59.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -91.82 155.66 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -91.98 123.37 35.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.465 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.661 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD11 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.463 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 97' ' ' THR . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.406 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' SER . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 115' ' ' PHE . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.54 ' CD1' HG11 ' A' ' 114' ' ' VAL . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -87.8 44.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -99.16 44.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -159.38 177.06 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.98 -57.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -165.88 151.44 8.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.6 mt -93.89 137.73 32.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 p -117.25 -36.44 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.0 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -11.98 31.82 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -112.45 157.16 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -128.9 -61.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -142.78 151.98 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -48.03 128.37 13.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.93 -155.43 19.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -109.74 164.8 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -142.54 141.6 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -115.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' PRO . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' OE2' ' CE ' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.545 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 40.1 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.545 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 HD11 ' NE ' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.463 ' NE ' HD11 ' A' ' 35' ' ' ILE . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' ARG . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.519 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 60' ' ' PHE . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 62' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -54.55 -42.65 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 6.5 t -86.89 -30.53 21.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.7 tt0 -36.43 -55.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 167.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -83.91 49.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -72.1 -69.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -113.82 -70.39 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -170.1 146.84 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.535 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.658 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 98' ' ' LEU . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' N ' HG22 ' A' ' 97' ' ' THR . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 100' ' ' LYS . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 115' ' ' PHE . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.544 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 101.54 10.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -127.79 -60.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -76.78 171.6 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 120' ' ' ASP . . . -115.38 -47.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' ALA . 25.2 m-20 -171.05 128.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.51 170.84 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.9 p -107.7 154.84 20.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.4 -151.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.15 5.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.3 m -115.95 133.64 55.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.3 t -38.53 -49.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.23 138.79 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 p -77.68 -16.86 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.99 43.8 25.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -139.47 175.94 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -72.56 151.18 42.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.09 155.14 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' OE2' ' CG1' ' A' ' 31' ' ' ILE . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 38.1 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.484 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ARG . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD11 ' CG2' ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE2' HD11 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' OD2' ' CD2' ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -55.58 -39.55 70.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 1.8 t -84.45 38.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -95.69 -58.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 166.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -81.14 47.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -98.71 -55.35 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.7 -179.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -102.46 136.8 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.639 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.658 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.416 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.639 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 100' ' ' LYS . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.402 ' CD1' ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.406 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.469 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG12 ' CE1' ' A' ' 115' ' ' PHE . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.466 ' CE1' HG12 ' A' ' 114' ' ' VAL . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -77.58 93.96 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.91 170.96 5.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.9 t-80 -144.61 158.26 43.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -126.66 -56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.57 144.02 21.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.86 102.11 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -48.47 -36.38 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.15 161.63 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.21 69.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.8 t -173.6 158.36 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 t -52.11 159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -55.65 144.03 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -130.7 166.81 19.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.45 119.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -104.96 159.85 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.17 46.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.71 -147.82 4.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' CB ' HD12 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.557 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CD1' ' CZ ' ' A' ' 45' ' ' ARG . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 52' ' ' THR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.562 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 61' ' ' TYR . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.534 HD13 ' CE2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 73' ' ' GLN . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.2 p-90 -63.63 -40.59 97.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 38.2 t -85.29 30.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -93.04 -32.12 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.08 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -104.75 35.1 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.43 -47.76 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -104.57 160.83 14.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -101.46 144.73 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.575 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.483 ' HB ' ' CZ2' ' A' ' 94' ' ' TRP . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.647 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 98' ' ' LEU . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' N ' HG21 ' A' ' 97' ' ' THR . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.461 HD12 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.492 HG11 ' CE1' ' A' ' 115' ' ' PHE . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.492 ' CE1' HG11 ' A' ' 114' ' ' VAL . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -74.22 91.67 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -160.85 128.31 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -164.2 143.48 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.15 160.28 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -38.88 117.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 pp -131.26 155.86 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 t -94.44 153.9 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.6 82.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.51 65.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.6 m -92.57 83.23 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.7 t -38.57 -44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -166.58 111.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.59 164.74 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.08 43.5 73.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -134.18 141.69 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -157.35 21.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.435 ' CB ' HG23 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.534 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.523 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 49' ' ' LEU . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD13 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 64' ' ' TYR . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.511 ' HG2' ' CE2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.466 ' CA ' ' HG3' ' A' ' 73' ' ' GLN . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.511 ' CE2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 -82.31 -42.99 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 7.0 t -91.71 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' HG3' ' CA ' ' A' ' 70' ' ' GLY . 5.5 mt-30 -119.77 -41.64 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -46.2 171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -85.62 42.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 -59.18 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -91.04 -178.87 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -120.62 139.05 53.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.428 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.559 HD13 ' CZ3' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.477 HG21 ' N ' ' A' ' 98' ' ' LEU . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' N ' HG21 ' A' ' 97' ' ' THR . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.435 HG23 ' CB ' ' A' ' 11' ' ' LEU . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -77.79 114.46 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -174.46 164.59 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.519 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 11.7 t-80 -154.32 162.45 41.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.519 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -148.68 157.19 43.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.45 101.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.15 149.59 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.7 p -51.16 -41.1 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.35 171.22 12.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.17 34.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.2 m -134.82 157.03 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -102.26 133.27 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 m -87.72 156.88 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -71.51 -48.98 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.18 88.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -128.25 112.46 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -85.3 129.03 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 -170.6 21.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.47 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.512 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.411 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.511 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 2.2 p-90 -59.36 -44.2 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 34.2 t -83.01 105.73 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -174.57 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -76.86 -46.88 22.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' LYS . 4.0 t30 -102.19 -57.3 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ASN . 7.9 mptt -33.98 -58.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 38.5 m-85 -112.66 -177.97 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -106.58 121.19 43.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.42 ' HE2' ' CD ' ' A' ' 19' ' ' GLU . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.541 HD11 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.511 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.571 ' CD ' ' CH2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CH2' ' CD ' ' A' ' 89' ' ' LYS . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 97' ' ' THR . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.556 ' CE1' HG13 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -63.25 106.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -166.18 153.43 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.5 t-80 -68.02 161.8 25.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -163.52 159.18 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -38.04 111.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.08 13.27 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.1 t -75.0 -40.44 60.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.81 146.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 154.03 67.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 t -111.26 139.02 46.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 99.5 p -79.44 114.34 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -69.9 160.56 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -94.7 91.4 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.63 -132.58 31.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -95.86 145.54 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -130.27 157.19 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.03 -96.02 2.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 32' ' ' VAL . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' N ' HG21 ' A' ' 31' ' ' ILE . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 2.8 t-20 -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.417 ' C ' HG12 ' A' ' 32' ' ' VAL . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.559 ' CE2' HD12 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.471 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.471 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 70' ' ' GLY . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.403 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.701 ' CZ2' ' CE1' ' A' ' 77' ' ' TYR . 1.1 p-90 -52.52 -26.13 12.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 4.3 t -72.23 -25.64 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -38.5 -26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 40.1 mm-40 -83.54 154.31 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -91.13 38.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -123.73 -12.47 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CE1' ' CZ2' ' A' ' 71' ' ' TRP . 7.5 t80 -105.87 163.09 13.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.54 ' N ' ' CG ' ' A' ' 77' ' ' TYR . 22.4 ttp180 -124.6 124.83 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.471 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.627 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.48 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 97' ' ' THR . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 115' ' ' PHE . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -73.32 96.21 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.85 133.39 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -66.84 154.13 41.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.42 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.49 99.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.6 pp -116.7 41.56 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m -84.67 133.98 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 163.82 -168.01 38.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.7 Cg_endo -69.76 2.53 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.382 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.5 m -36.05 137.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.9 m 58.31 43.76 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.27 89.34 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -151.78 161.26 42.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.37 123.58 7.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -94.97 -55.36 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -46.12 -44.95 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -151.09 21.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.514 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' C ' HG13 ' A' ' 18' ' ' ILE . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' TYR . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ARG . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.543 ' CE2' HD12 ' A' ' 88' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.443 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.2 p-90 -58.39 -39.94 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.482 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 42.5 t -90.01 29.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -91.27 -37.35 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -54.98 -176.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.82 -34.52 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.25 -55.22 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -89.4 156.13 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -120.2 151.16 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.581 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.616 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD12 ' CE2' ' A' ' 55' ' ' TYR . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.558 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.581 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.474 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' N ' HG21 ' A' ' 97' ' ' THR . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.509 HG12 ' CE1' ' A' ' 115' ' ' PHE . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.509 ' CE1' HG12 ' A' ' 114' ' ' VAL . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -88.0 92.63 9.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -139.9 123.63 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -173.5 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.2 173.43 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.34 115.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 pp -128.53 139.49 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.09 142.01 3.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 156.87 62.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.6 p -113.28 160.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -93.23 130.59 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -155.57 137.33 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -133.92 124.77 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 -62.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -88.99 95.3 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 m -60.28 100.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.83 -157.73 14.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.5 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 59' ' ' LEU . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.573 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' A' ' 28' ' ' GLN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' A' ' 22' ' ' ASP . 35.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 4.1 t-20 -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 37' ' ' ASN . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 57' ' ' GLN . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 44' ' ' LEU . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 8' ' ' PRO . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.478 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' CD ' HD23 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 70' ' ' GLY . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.448 ' N ' HG13 ' A' ' 69' ' ' VAL . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.6 p-90 -54.61 -42.47 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 10.2 t -58.88 -46.4 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 tp-100 -34.57 -47.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.53 157.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -75.04 62.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -125.25 -51.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.75 164.95 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -101.93 138.24 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.629 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.626 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.629 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.473 ' N ' HG23 ' A' ' 97' ' ' THR . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.518 HG13 ' CE1' ' A' ' 115' ' ' PHE . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.518 ' CE1' HG13 ' A' ' 114' ' ' VAL . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -119.7 98.41 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.82 165.42 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -60.06 -38.37 82.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.498 ' N ' ' CD2' ' A' ' 118' ' ' HIS . . . -32.43 144.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t70 63.62 48.12 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -90.46 34.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.8 m -121.51 151.64 40.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.74 64.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.48 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 t 56.29 43.02 27.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.8 m -146.4 129.3 16.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -65.38 83.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -117.23 171.39 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 54.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -141.96 155.59 45.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -70.25 143.34 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 162.38 20.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.564 ' CG ' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CG2' HD13 ' A' ' 42' ' ' LEU . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' CB ' HD12 ' A' ' 110' ' ' LEU . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 31' ' ' ILE . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 19' ' ' GLU . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' N ' HG23 ' A' ' 18' ' ' ILE . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 5.7 t-20 -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD1' ' OD1' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.545 ' CZ3' HD12 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 17' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' N ' HG22 ' A' ' 31' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 HD11 ' CZ ' ' A' ' 45' ' ' ARG . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD13 ' CG2' ' A' ' 12' ' ' ILE . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.458 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' ARG . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLU . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.568 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.689 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.0 p-90 -46.76 -42.62 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 20.5 t -51.95 -43.76 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -35.88 153.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 8.0 tt0 58.18 25.02 12.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.42 106.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -76.24 50.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -53.75 -177.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -84.79 103.69 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.497 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.508 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.63 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.508 ' CH2' ' CD1' ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 98' ' ' LEU . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.545 HD12 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.424 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 16' ' ' SER . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' GLU . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt -34.34 105.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -126.1 176.63 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.0 t-80 -60.44 162.3 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . 58.6 37.31 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -129.1 4.97 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.49 ' N ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -99.3 -176.29 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' LEU . 1.9 t 34.4 42.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.55 -74.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.57 14.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -89.88 -59.36 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -38.57 -56.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -107.2 83.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -97.64 121.55 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.6 121.13 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -58.38 110.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -98.26 -55.89 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 -96.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' C ' ' A' ' 17' ' ' LEU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.4 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.572 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.543 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 59' ' ' LEU . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD22 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.551 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' NE ' HD22 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' CYS . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 -33.3 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' GLY . 1.8 t -86.64 41.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -88.15 -48.9 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' CB ' ' HD2' ' A' ' 76' ' ' LYS . 51.5 mm-40 -67.22 -175.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.428 ' C ' ' HE2' ' A' ' 76' ' ' LYS . 8.4 m-80 -97.87 39.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HE2' ' C ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -87.62 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.4 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 5.6 m-85 -118.21 176.28 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -121.17 129.75 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.551 ' CD1' ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.638 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 55' ' ' TYR . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 98' ' ' LEU . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' N ' HG22 ' A' ' 97' ' ' THR . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 100' ' ' LYS . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.534 HG12 ' CE1' ' A' ' 115' ' ' PHE . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.534 ' CE1' HG12 ' A' ' 114' ' ' VAL . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -127.12 93.38 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -146.57 166.46 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 120' ' ' ASP . 4.5 t60 -46.8 -71.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 118' ' ' HIS . . . 35.79 45.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.49 ' HB3' ' CE1' ' A' ' 118' ' ' HIS . 22.2 t70 -131.29 32.63 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.44 ' CD2' ' C ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -85.59 174.27 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' LEU . 3.8 t 37.37 40.35 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.75 -73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 157.96 58.63 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.0 p -165.1 174.4 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -70.36 -49.61 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 46.59 42.55 11.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -49.47 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 137.14 2.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -112.65 128.85 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -120.33 121.57 38.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.91 166.56 13.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.429 HD12 ' CG1' ' A' ' 114' ' ' VAL . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' OE2' ' CE ' ' A' ' 79' ' ' MET . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 ' CG2' HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 37' ' ' ASN . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 HH21 ' CG2' ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 59' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.553 ' CE2' HD11 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 65' ' ' ARG . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.476 ' HD3' ' CD1' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.536 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 1.9 p-90 -69.63 -41.71 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.437 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 30.2 t -65.34 -40.4 93.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' CYS . 8.9 mm-40 -36.74 -50.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLN . 0.6 OUTLIER -36.99 152.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.53 -31.75 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -46.67 -54.18 10.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.536 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 49.6 m-85 -100.23 158.67 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -114.94 154.13 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.553 HD11 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 98' ' ' LEU . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 97' ' ' THR . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 101' ' ' SER . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.536 HG13 ' CE1' ' A' ' 115' ' ' PHE . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.536 ' CE1' HG13 ' A' ' 114' ' ' VAL . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -87.01 40.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.11 -56.43 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -101.61 177.62 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.18 169.67 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -47.13 144.29 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.65 -38.28 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 t -56.37 166.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.32 -97.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.22 30.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -50.55 126.11 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.6 p -132.24 115.62 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.5 81.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -52.31 148.25 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.67 -130.33 2.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -67.58 168.21 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -122.37 87.39 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.93 -165.82 11.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 13' ' ' THR . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.44 ' N ' HG21 ' A' ' 12' ' ' ILE . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 26' ' ' PRO . 13.2 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.461 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 5.6 t-20 -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' CD1' HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.565 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.5 tp-100 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.508 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD12 ' CD1' ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -46.83 -38.74 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 29.9 t -55.32 -38.48 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -47.56 -48.63 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.9 25.96 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' CYS . 4.4 m120 -170.81 107.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' N ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -75.27 48.97 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -68.27 -174.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -77.5 126.26 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.566 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.577 HD13 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.655 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.565 HD13 ' CE2' ' A' ' 55' ' ' TYR . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.541 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.577 ' CH2' HD13 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 98' ' ' LEU . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.481 ' N ' HG23 ' A' ' 97' ' ' THR . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.415 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 109' ' ' PRO . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 115' ' ' PHE . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' CD1' HG13 ' A' ' 114' ' ' VAL . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -94.6 89.92 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -142.04 166.44 24.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -57.31 173.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.0 -47.28 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -159.92 108.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.4 pp -132.49 164.07 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.2 t 63.09 43.3 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.33 138.35 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 128.95 16.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.289 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.2 m -66.33 123.52 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.2 t -55.27 134.03 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.04 42.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -126.33 111.22 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 -147.42 4.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -50.52 122.29 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -68.75 153.43 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 -170.55 42.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 ' CG2' HD11 ' A' ' 42' ' ' LEU . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.443 ' CB ' HD13 ' A' ' 110' ' ' LEU . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD21 ' NE2' ' A' ' 57' ' ' GLN . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 49.2 m-20 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.571 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HG ' ' A' ' 102' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' NE2' HD21 ' A' ' 20' ' ' LEU . 20.7 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -58.97 -28.83 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' GLN . 4.1 t -90.6 -38.92 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.0 tt0 -34.45 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.58 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -95.2 68.57 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -126.26 -44.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -123.03 177.1 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -103.07 123.8 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.559 HD11 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.649 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CZ2' ' CD ' ' A' ' 89' ' ' LYS . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 98' ' ' LEU . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.53 HD11 ' CZ3' ' A' ' 30' ' ' TRP . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.46 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.433 HG13 ' CE1' ' A' ' 115' ' ' PHE . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.433 ' CE1' HG13 ' A' ' 114' ' ' VAL . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -83.12 94.48 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -158.56 119.68 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -157.27 174.62 15.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 120' ' ' ASP . . . -131.65 83.46 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 119' ' ' ALA . 13.5 t0 34.47 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 11.9 mt -41.57 121.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.7 m -64.34 -38.34 90.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.39 97.52 1.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 137.07 34.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 2.246 . . . . 0.0 112.407 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 t -66.36 156.51 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -87.96 113.63 23.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -89.19 134.21 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -174.05 139.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 63.47 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -105.05 101.74 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -48.97 152.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.44 -157.26 15.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' CD2' ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG21 ' N ' ' A' ' 19' ' ' GLU . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' N ' HG21 ' A' ' 18' ' ' ILE . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.463 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 24' ' ' GLN . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' CD1' HD21 ' A' ' 102' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 59' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 88' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.4 tp-100 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.45 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 44' ' ' LEU . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.515 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -49.53 -34.73 18.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 11.1 t -97.65 101.45 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' HB2' ' CG ' ' A' ' 76' ' ' LYS . 10.2 mp0 -75.07 -174.3 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 73' ' ' GLN . 7.0 tp10 -33.39 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -134.74 88.67 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' CG ' ' HB2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -105.88 -69.79 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -103.46 -72.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -171.97 105.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.556 HD13 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 55' ' ' TYR . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 89' ' ' LYS . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 98' ' ' LEU . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 ' N ' HG23 ' A' ' 97' ' ' THR . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.444 HD21 ' CD1' ' A' ' 31' ' ' ILE . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 115' ' ' PHE . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 114' ' ' VAL . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -97.49 106.61 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.55 132.05 51.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.529 ' CE1' HD12 ' A' ' 121' ' ' LEU . 16.5 t60 -81.5 -55.82 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.28 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.8 t0 51.67 54.91 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.529 HD12 ' CE1' ' A' ' 118' ' ' HIS . 5.0 mp -66.41 119.2 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.1 m -64.25 157.05 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.56 84.44 1.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.26 9.89 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -61.57 140.02 58.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.6 p -159.09 145.34 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -166.01 144.89 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -166.1 124.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.82 118.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -76.28 134.25 39.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -139.8 122.14 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.94 -163.78 2.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 28.9 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.516 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' CD1' HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.549 ' CE2' HD11 ' A' ' 88' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.54 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.54 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 -61.75 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 15.0 t -83.94 33.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -70.73 -54.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -61.76 -174.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -83.3 36.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.744 ' HZ3' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -54.12 -70.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -124.66 -175.22 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.39 106.95 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.533 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.533 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.479 HG21 ' N ' ' A' ' 98' ' ' LEU . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' N ' HG21 ' A' ' 97' ' ' THR . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 100' ' ' LYS . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' SER . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.499 HG11 ' CE1' ' A' ' 115' ' ' PHE . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' CE1' HG11 ' A' ' 114' ' ' VAL . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -91.62 43.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -148.92 164.67 33.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -129.27 178.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.76 -46.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -173.28 127.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.41 146.17 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t -131.1 -37.46 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.86 -100.36 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.06 20.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -73.77 -51.15 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.4 m -57.04 162.79 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -133.72 109.92 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.15 149.05 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.45 -127.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 176.41 5.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -79.18 144.84 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.36 37.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' CD1' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' HB3' ' CD1' ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' C ' HG13 ' A' ' 18' ' ' ILE . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 17' ' ' LEU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 32' ' ' VAL . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' N ' HG23 ' A' ' 31' ' ' ILE . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 40' ' ' GLY . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' C ' ' OE1' ' A' ' 57' ' ' GLN . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 46' ' ' TYR . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE1' ' NE2' ' A' ' 57' ' ' GLN . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 88' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TRP . . . . . 0.484 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.3 p-90 -66.91 -43.56 83.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 39.5 t -69.01 -29.69 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -39.37 -54.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -63.03 -172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.68 48.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -84.4 -62.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -148.89 -176.29 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -91.28 132.44 36.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 ' HA ' ' CD1' ' A' ' 88' ' ' LEU . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.626 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 89' ' ' LYS . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 98' ' ' LEU . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' N ' HG23 ' A' ' 97' ' ' THR . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.434 HG22 ' CD1' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -81.9 90.1 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -101.65 -57.83 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 17.8 t60 -163.38 162.03 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -38.58 148.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -83.6 49.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -42.49 144.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.3 p -75.88 159.16 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.92 68.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.4 p -117.05 153.65 32.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.62 173.7 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.446 0.47 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.696 HD11 ' HE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 69' ' ' VAL . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD21 HE22 ' A' ' 57' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 102' ' ' LEU . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 46' ' ' TYR . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 16' ' ' SER . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HA ' HG12 ' A' ' 32' ' ' VAL . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.518 ' OE1' HD12 ' A' ' 59' ' ' LEU . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 57' ' ' GLN . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' HE2' HD11 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.684 HD12 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.632 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.585 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CH2' HD12 ' A' ' 85' ' ' ILE . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 31' ' ' ILE . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.712 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.468 ' CE ' HG22 ' A' ' 103' ' ' ILE . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 12' ' ' ILE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 121.445 0.469 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 114' ' ' VAL . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 69' ' ' VAL . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 98' ' ' LEU . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 46' ' ' TYR . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.622 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 66' ' ' LEU . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 46' ' ' TYR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.55 ' OD2' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD21 HD11 ' A' ' 44' ' ' LEU . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.903 HD12 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.635 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.903 ' CH2' HD12 ' A' ' 85' ' ' ILE . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 31' ' ' ILE . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' CD2' HD11 ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 11' ' ' LEU . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.463 0.48 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 114' ' ' VAL . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' HD21 ' A' ' 110' ' ' LEU . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 HG21 ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 19' ' ' GLU . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 18' ' ' ILE . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.613 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 66' ' ' LEU . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.695 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.505 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 44' ' ' LEU . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.411 ' HE2' ' OE1' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.752 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.666 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.752 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.613 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.724 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 103' ' ' ILE . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 99' ' ' GLU . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CE ' HG22 ' A' ' 103' ' ' ILE . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 12' ' ' ILE . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 11' ' ' LEU . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.471 0.484 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 110' ' ' LEU . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 2.5 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 98' ' ' LEU . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' SER . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.622 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG22 ' NE1' ' A' ' 30' ' ' TRP . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 28.3 tp60 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 HD12 ' A' ' 44' ' ' LEU . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 61' ' ' TYR . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.949 HD12 ' CH2' ' A' ' 94' ' ' TRP . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.677 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.949 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 31' ' ' ILE . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HA ' HD13 ' A' ' 103' ' ' ILE . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 99' ' ' GLU . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HE2' HG22 ' A' ' 103' ' ' ILE . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 18' ' ' ILE . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 11' ' ' LEU . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.457 0.476 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 37' ' ' ASN . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 69' ' ' VAL . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 17' ' ' LEU . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' OE2' ' HE1' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 65' ' ' ARG . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 12.3 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HD21 ' A' ' 17' ' ' LEU . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 46' ' ' TYR . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 HD21 HG23 ' A' ' 9' ' ' ILE . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.891 HD21 ' NH2' ' A' ' 65' ' ' ARG . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.713 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.891 ' NH2' HD21 ' A' ' 59' ' ' LEU . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 HD23 ' A' ' 17' ' ' LEU . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' HD2' HE21 ' A' ' 28' ' ' GLN . 31.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.998 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.672 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.998 ' CH2' HD12 ' A' ' 85' ' ' ILE . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 99' ' ' GLU . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.785 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 121.461 0.478 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' CB ' HG22 ' A' ' 114' ' ' VAL . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 35' ' ' ILE . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.534 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 69' ' ' VAL . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 ' NE2' ' A' ' 57' ' ' GLN . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 98' ' ' LEU . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 46' ' ' TYR . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' SER . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HD11 ' A' ' 42' ' ' LEU . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 37' ' ' ASN . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD11 HD21 ' A' ' 66' ' ' LEU . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.518 ' NH2' HD12 ' A' ' 35' ' ' ILE . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.602 ' HA ' HG12 ' A' ' 32' ' ' VAL . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 31' ' ' ILE . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.611 ' NE2' HD21 ' A' ' 20' ' ' LEU . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.71 ' OD2' HD22 ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.487 HH21 HD21 ' A' ' 59' ' ' LEU . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.791 HD21 HD11 ' A' ' 44' ' ' LEU . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.127 HD12 ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.673 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.127 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.768 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 99' ' ' GLU . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 103' ' ' ILE . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 11' ' ' LEU . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 121.397 0.443 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HB3' HG22 ' A' ' 114' ' ' VAL . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 35' ' ' ILE . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.607 ' CB ' HD11 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 33' ' ' SER . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 19' ' ' GLU . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 18' ' ' ILE . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 98' ' ' LEU . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 66' ' ' LEU . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.707 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 8' ' ' PRO . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HD22 ' A' ' 59' ' ' LEU . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 44' ' ' LEU . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' LEU . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.495 ' CZ2' ' HB ' ' A' ' 85' ' ' ILE . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 31' ' ' ILE . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HE2' HG22 ' A' ' 103' ' ' ILE . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.607 HD11 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' LEU . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.431 0.462 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.593 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CB ' HG22 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 114' ' ' VAL . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.46 ' CB ' HD11 ' A' ' 110' ' ' LEU . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.903 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 45' ' ' ARG . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 35' ' ' ILE . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 55' ' ' TYR . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CD2' HG21 ' A' ' 52' ' ' THR . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' OD2' HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HG2' ' CD2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.806 HD12 ' CH2' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.679 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.679 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.586 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.806 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HD12 ' A' ' 31' ' ' ILE . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 102' ' ' LEU . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 99' ' ' GLU . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.523 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' NZ ' HG22 ' A' ' 103' ' ' ILE . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 18' ' ' ILE . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 12' ' ' ILE . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 121.441 0.467 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.523 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 33' ' ' SER . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 44' ' ' LEU . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 98' ' ' LEU . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 42' ' ' LEU . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.684 ' HB2' HD12 ' A' ' 49' ' ' LEU . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 46' ' ' TYR . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' CG ' HD22 ' A' ' 59' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.715 HD12 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.715 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 31' ' ' ILE . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.668 ' HB2' HD21 ' A' ' 17' ' ' LEU . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 99' ' ' GLU . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HE2' HG22 ' A' ' 103' ' ' ILE . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 121.469 0.483 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.608 ' CB ' HG22 ' A' ' 114' ' ' VAL . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.53 ' CB ' HD11 ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 31' ' ' ILE . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG21 HD21 ' A' ' 17' ' ' LEU . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 16' ' ' SER . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.606 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 28' ' ' GLN . 22.4 ttp180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.554 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.48 ' NE1' ' HA ' ' A' ' 86' ' ' TYR . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.701 ' O ' HD12 ' A' ' 103' ' ' ILE . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 103' ' ' ILE . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 99' ' ' GLU . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 103' ' ' ILE . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' CB ' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.608 HG22 ' CB ' ' A' ' 11' ' ' LEU . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.422 0.457 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' CB ' HG22 ' A' ' 114' ' ' VAL . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.746 ' OE1' HG22 ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 45' ' ' ARG . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 35' ' ' ILE . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.513 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.898 ' CB ' HD13 ' A' ' 49' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.858 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.858 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.609 HH21 HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.746 HG22 ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.033 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.629 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.033 ' CH2' HD12 ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 98' ' ' LEU . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 95' ' ' LYS . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 103' ' ' ILE . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 99' ' ' GLU . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 103' ' ' ILE . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.582 HG22 ' CB ' ' A' ' 11' ' ' LEU . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.414 0.452 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 8' ' ' PRO . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 34' ' ' VAL . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 15.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 101' ' ' SER . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 16' ' ' SER . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.7 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.59 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 32' ' ' VAL . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.861 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ILE . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.828 HD21 HH11 ' A' ' 65' ' ' ARG . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 66' ' ' LEU . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.828 HH11 HD21 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 61' ' ' TYR . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' A' ' 19' ' ' GLU . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.557 ' CG ' HG23 ' A' ' 85' ' ' ILE . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.109 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.109 ' CH2' HD12 ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 31' ' ' ILE . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' HG21 ' A' ' 31' ' ' ILE . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 99' ' ' GLU . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 111' ' ' PRO . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' MET . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.469 0.483 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 114' ' ' VAL . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 32' ' ' VAL . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.703 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.703 ' CD1' ' ND2' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 102' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.51 HG22 ' HG3' ' A' ' 36' ' ' GLU . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 35' ' ' ILE . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 32' ' ' VAL . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 49' ' ' LEU . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA3' ' HZ2' ' A' ' 89' ' ' LYS . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 46' ' ' TYR . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 54' ' ' SER . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.779 ' HA ' HD13 ' A' ' 66' ' ' LEU . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.941 HD12 ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.643 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.941 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.42 HG21 ' HA3' ' A' ' 48' ' ' GLY . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 31' ' ' ILE . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE3' HG22 ' A' ' 103' ' ' ILE . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 12' ' ' ILE . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.468 0.482 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' A' ' 114' ' ' VAL . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.557 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG21 ' A' ' 69' ' ' VAL . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 19' ' ' GLU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.582 ' OE2' HG23 ' A' ' 31' ' ' ILE . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 65' ' ' ARG . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.582 HG23 ' OE2' ' A' ' 19' ' ' GLU . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG2' HD22 ' A' ' 44' ' ' LEU . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG22 ' HG3' ' A' ' 36' ' ' GLU . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' HG22 ' A' ' 35' ' ' ILE . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.737 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 32' ' ' VAL . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' HB2' ' A' ' 55' ' ' TYR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 49' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.534 ' NE ' HD21 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 HD23 ' A' ' 17' ' ' LEU . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' TRP . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.99 HD12 ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 85' ' ' ILE . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.99 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 103' ' ' ILE . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 99' ' ' GLU . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.696 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.651 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.696 ' HE2' HG22 ' A' ' 103' ' ' ILE . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 11' ' ' LEU . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 121.47 0.483 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 110' ' ' LEU . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 18' ' ' ILE . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 69' ' ' VAL . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 46' ' ' TYR . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' HD12 ' A' ' 17' ' ' LEU . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 42' ' ' LEU . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG21 HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD11 HD21 ' A' ' 66' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.571 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 44' ' ' LEU . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 44' ' ' LEU . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 19' ' ' GLU . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.725 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.674 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 85' ' ' ILE . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 103' ' ' ILE . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 99' ' ' GLU . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 103' ' ' ILE . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 18' ' ' ILE . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' CB ' ' A' ' 11' ' ' LEU . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' MET . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.464 0.48 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' HD12 ' A' ' 11' ' ' LEU . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CB ' HG22 ' A' ' 114' ' ' VAL . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' A' ' 42' ' ' LEU . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 31' ' ' ILE . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 21' ' ' GLN . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.659 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.5 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 17' ' ' LEU . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.747 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 46' ' ' TYR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 23.2 tp60 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.858 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.67 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 85' ' ' ILE . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.858 ' CH2' HD12 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.487 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 99' ' ' GLU . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.443 ' HE2' HG22 ' A' ' 103' ' ' ILE . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 11' ' ' LEU . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.444 0.469 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' HD12 ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' GLU . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' ILE . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 65' ' ' ARG . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 4.8 m120 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.956 HD12 HD12 ' A' ' 98' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ILE . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' LEU . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.548 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.648 HD12 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.435 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.648 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.956 HD12 HD12 ' A' ' 31' ' ' ILE . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HA ' HD13 ' A' ' 103' ' ' ILE . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HE2' HG22 ' A' ' 103' ' ' ILE . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 111' ' ' PRO . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.442 0.468 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 34' ' ' VAL . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.814 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 98' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 44' ' ' LEU . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' SER . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.79 HD11 HD21 ' A' ' 66' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 55' ' ' TYR . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.711 ' HB2' HD13 ' A' ' 49' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 28.2 tp60 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 65' ' ' ARG . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.8 ' HB2' HD12 ' A' ' 66' ' ' LEU . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 59' ' ' LEU . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 63' ' ' ASP . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.671 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.676 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 31' ' ' ILE . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 103' ' ' ILE . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 99' ' ' GLU . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 99' ' ' GLU . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.814 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 103' ' ' ILE . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.451 0.473 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD23 HG21 ' A' ' 69' ' ' VAL . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 19' ' ' GLU . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 18' ' ' ILE . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 65' ' ' ARG . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 5.0 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 17' ' ' LEU . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 55' ' ' TYR . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 49' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 HD23 ' A' ' 17' ' ' LEU . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.555 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.667 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 102' ' ' LEU . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 99' ' ' GLU . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.646 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.646 ' HE2' HG22 ' A' ' 103' ' ' ILE . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' PRO . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 121.374 0.43 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CB ' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.551 ' CB ' HD11 ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 19' ' ' GLU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 18' ' ' ILE . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 102' ' ' LEU . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CG2' HD22 ' A' ' 44' ' ' LEU . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' SER . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.539 HD12 ' NH2' ' A' ' 45' ' ' ARG . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD22 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HD12 ' A' ' 35' ' ' ILE . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' HB2' HD13 ' A' ' 49' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.742 HD12 ' CH2' ' A' ' 94' ' ' TRP . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.757 ' O ' HD12 ' A' ' 103' ' ' ILE . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.828 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.713 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -174.56 121.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -118.23 95.61 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.27 -138.98 10.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -67.35 172.32 5.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -88.42 103.22 15.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.81 -158.03 9.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.696 HD11 ' HE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 69' ' ' VAL . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD21 HE22 ' A' ' 57' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 102' ' ' LEU . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 46' ' ' TYR . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 16' ' ' SER . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HA ' HG12 ' A' ' 32' ' ' VAL . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.518 ' OE1' HD12 ' A' ' 59' ' ' LEU . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 57' ' ' GLN . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' HE2' HD11 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.41 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.0 p-90 -60.95 -40.22 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 53.2 t -64.16 -14.07 52.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -83.51 0.59 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -98.12 -38.65 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -116.21 -33.46 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' TYR . 1.9 mppt? 58.76 33.15 22.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' LYS . 59.3 m-85 -34.47 -58.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -174.55 109.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.684 HD12 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.632 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.585 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CH2' HD12 ' A' ' 85' ' ' ILE . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 31' ' ' ILE . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.712 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' CE ' HG22 ' A' ' 103' ' ' ILE . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 12' ' ' ILE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -84.09 96.46 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.61 175.13 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.41 139.22 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 120' ' ' ASP . . . -165.87 171.13 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 39.2 m-20 -37.89 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.22 13.68 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -64.93 153.71 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.93 165.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.526 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.55 10.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.1 p -146.45 134.08 21.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -71.78 140.75 49.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -120.28 113.8 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -129.34 138.84 51.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.75 -80.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -80.37 140.55 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -54.06 96.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.78 -161.52 17.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 114' ' ' VAL . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 69' ' ' VAL . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 98' ' ' LEU . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 46' ' ' TYR . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.622 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 66' ' ' LEU . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 46' ' ' TYR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.55 ' OD2' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD21 HD11 ' A' ' 44' ' ' LEU . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -48.46 -36.35 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.33 -68.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 73' ' ' GLN . 2.7 tm0? -50.62 -30.94 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -61.67 -34.65 76.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.9 t-20 -119.76 28.12 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 36.09 37.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -62.32 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -98.31 113.9 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.903 HD12 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.635 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.903 ' CH2' HD12 ' A' ' 85' ' ' ILE . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 31' ' ' ILE . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' CD2' HD11 ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 11' ' ' LEU . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -95.78 82.75 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.35 90.57 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -172.14 169.63 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.76 78.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 25.2 t0 48.0 29.64 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -86.67 137.23 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -125.46 165.78 17.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.16 142.51 17.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.15 64.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.7 p -92.22 132.24 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.3 p -57.62 128.96 39.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 61.13 42.28 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -134.4 145.84 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.77 83.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 p -131.09 99.26 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -46.35 150.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.58 -162.57 24.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 114' ' ' VAL . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' HD21 ' A' ' 110' ' ' LEU . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 HG21 ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 19' ' ' GLU . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 18' ' ' ILE . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.613 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 66' ' ' LEU . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.695 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.505 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 44' ' ' LEU . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CH2' ' CD2' ' A' ' 77' ' ' TYR . 2.6 p-90 -73.95 -38.33 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' GLN . 17.5 t -69.24 -42.88 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.452 ' NE2' HD21 ' A' ' 102' ' ' LEU . 1.8 mp0 -34.8 -52.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.91 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.36 37.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -91.89 -45.66 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.436 ' CD2' ' CH2' ' A' ' 71' ' ' TRP . 10.3 m-85 -135.56 -175.19 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -109.17 136.23 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.411 ' HE2' ' OE1' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.752 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.666 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.752 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.613 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.724 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 103' ' ' ILE . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 99' ' ' GLU . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CE ' HG22 ' A' ' 103' ' ' ILE . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 12' ' ' ILE . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 11' ' ' LEU . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.94 -41.01 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 114.72 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -136.85 154.06 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.2 -176.13 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.58 51.43 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.41 -37.18 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -93.49 98.62 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.08 173.32 14.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.95 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 t -161.95 119.89 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.0 p -52.92 166.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -171.31 111.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.13 145.67 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.61 -127.47 9.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 67.85 42.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -96.66 92.99 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 -164.93 38.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 110' ' ' LEU . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 2.5 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 98' ' ' LEU . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' SER . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.622 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG22 ' NE1' ' A' ' 30' ' ' TRP . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 28.3 tp60 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 HD12 ' A' ' 44' ' ' LEU . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 61' ' ' TYR . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.8 p-90 -52.74 -44.13 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 2.9 t -82.12 43.58 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -97.69 -36.94 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.79 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -101.09 34.68 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -98.92 -59.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -91.82 155.66 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -91.98 123.37 35.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.949 HD12 ' CH2' ' A' ' 94' ' ' TRP . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.677 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.949 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 31' ' ' ILE . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HA ' HD13 ' A' ' 103' ' ' ILE . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 99' ' ' GLU . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HE2' HG22 ' A' ' 103' ' ' ILE . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 18' ' ' ILE . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 11' ' ' LEU . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -87.8 44.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -99.16 44.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -159.38 177.06 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.98 -57.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -165.88 151.44 8.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.6 mt -93.89 137.73 32.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 p -117.25 -36.44 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.0 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -11.98 31.82 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -112.45 157.16 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -128.9 -61.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -142.78 151.98 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -48.03 128.37 13.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.93 -155.43 19.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -109.74 164.8 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -142.54 141.6 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -115.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 37' ' ' ASN . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 69' ' ' VAL . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 17' ' ' LEU . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' OE2' ' HE1' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 65' ' ' ARG . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ASP . 12.3 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HD21 ' A' ' 17' ' ' LEU . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 46' ' ' TYR . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 HD21 HG23 ' A' ' 9' ' ' ILE . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.891 HD21 ' NH2' ' A' ' 65' ' ' ARG . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.713 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.891 ' NH2' HD21 ' A' ' 59' ' ' LEU . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 HD23 ' A' ' 17' ' ' LEU . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -54.55 -42.65 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 6.5 t -86.89 -30.53 21.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 37.3 tt0 -36.43 -55.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 167.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -83.91 49.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -72.1 -69.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -113.82 -70.39 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' HD2' HE21 ' A' ' 28' ' ' GLN . 31.8 ttm-85 -170.1 146.84 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.998 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.672 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.998 ' CH2' HD12 ' A' ' 85' ' ' ILE . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 99' ' ' GLU . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.785 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 101.54 10.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -127.79 -60.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -76.78 171.6 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 120' ' ' ASP . . . -115.38 -47.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' ALA . 25.2 m-20 -171.05 128.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.51 170.84 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.9 p -107.7 154.84 20.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.4 -151.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.15 5.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.3 m -115.95 133.64 55.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.3 t -38.53 -49.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.23 138.79 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 p -77.68 -16.86 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.99 43.8 25.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -139.47 175.94 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -72.56 151.18 42.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.09 155.14 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' CB ' HG22 ' A' ' 114' ' ' VAL . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 35' ' ' ILE . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.534 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 69' ' ' VAL . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 ' NE2' ' A' ' 57' ' ' GLN . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 98' ' ' LEU . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 46' ' ' TYR . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' SER . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HD11 ' A' ' 42' ' ' LEU . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 37' ' ' ASN . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD11 HD21 ' A' ' 66' ' ' LEU . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.518 ' NH2' HD12 ' A' ' 35' ' ' ILE . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.602 ' HA ' HG12 ' A' ' 32' ' ' VAL . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 31' ' ' ILE . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.611 ' NE2' HD21 ' A' ' 20' ' ' LEU . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.71 ' OD2' HD22 ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.487 HH21 HD21 ' A' ' 59' ' ' LEU . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.791 HD21 HD11 ' A' ' 44' ' ' LEU . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -55.58 -39.55 70.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.452 ' HB3' ' HE1' ' A' ' 79' ' ' MET . 1.8 t -84.45 38.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -95.69 -58.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 166.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -81.14 47.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -98.71 -55.35 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.7 -179.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -102.46 136.8 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.452 ' HE1' ' HB3' ' A' ' 72' ' ' CYS . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.127 HD12 ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.673 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.127 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.768 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 99' ' ' GLU . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 103' ' ' ILE . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 11' ' ' LEU . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -77.58 93.96 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.91 170.96 5.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.9 t-80 -144.61 158.26 43.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -126.66 -56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.57 144.02 21.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.86 102.11 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -48.47 -36.38 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.15 161.63 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.21 69.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.8 t -173.6 158.36 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 t -52.11 159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -55.65 144.03 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -130.7 166.81 19.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.45 119.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -104.96 159.85 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.17 46.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.71 -147.82 4.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HB3' HG22 ' A' ' 114' ' ' VAL . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 35' ' ' ILE . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.607 ' CB ' HD11 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 33' ' ' SER . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 19' ' ' GLU . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 18' ' ' ILE . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 98' ' ' LEU . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 66' ' ' LEU . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.707 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 8' ' ' PRO . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HD22 ' A' ' 59' ' ' LEU . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 44' ' ' LEU . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 73' ' ' GLN . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.2 p-90 -63.63 -40.59 97.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 38.2 t -85.29 30.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -93.04 -32.12 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.08 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -104.75 35.1 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.43 -47.76 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -104.57 160.83 14.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -101.46 144.73 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' LEU . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.495 ' CZ2' ' HB ' ' A' ' 85' ' ' ILE . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 31' ' ' ILE . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HE2' HG22 ' A' ' 103' ' ' ILE . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.607 HD11 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' LEU . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -74.22 91.67 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -160.85 128.31 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -164.2 143.48 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.15 160.28 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -38.88 117.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 pp -131.26 155.86 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 t -94.44 153.9 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.6 82.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.51 65.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.6 m -92.57 83.23 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.7 t -38.57 -44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -166.58 111.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.59 164.74 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.08 43.5 73.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -134.18 141.69 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -157.35 21.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.593 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CB ' HG22 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 114' ' ' VAL . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' CB ' HD11 ' A' ' 110' ' ' LEU . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.903 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 45' ' ' ARG . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 35' ' ' ILE . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 55' ' ' TYR . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CD2' HG21 ' A' ' 52' ' ' THR . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' OD2' HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HG2' ' CD2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HG3' ' A' ' 73' ' ' GLN . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 -82.31 -42.99 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 7.0 t -91.71 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' CA ' ' A' ' 70' ' ' GLY . 5.5 mt-30 -119.77 -41.64 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -46.2 171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -85.62 42.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 -59.18 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -91.04 -178.87 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -120.62 139.05 53.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HE3' ' O ' ' A' ' 72' ' ' CYS . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.806 HD12 ' CH2' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.679 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.679 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.586 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.806 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HD12 ' A' ' 31' ' ' ILE . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 102' ' ' LEU . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 99' ' ' GLU . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.523 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' NZ ' HG22 ' A' ' 103' ' ' ILE . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 18' ' ' ILE . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 12' ' ' ILE . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -77.79 114.46 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -174.46 164.59 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.519 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 11.7 t-80 -154.32 162.45 41.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.519 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -148.68 157.19 43.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.45 101.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.15 149.59 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.7 p -51.16 -41.1 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.35 171.22 12.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.17 34.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.2 m -134.82 157.03 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -102.26 133.27 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 m -87.72 156.88 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -71.51 -48.98 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.18 88.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -128.25 112.46 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -85.3 129.03 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 -170.6 21.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.523 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 33' ' ' SER . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 44' ' ' LEU . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 98' ' ' LEU . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 42' ' ' LEU . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.684 ' HB2' HD12 ' A' ' 49' ' ' LEU . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 46' ' ' TYR . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' CG ' HD22 ' A' ' 59' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 2.2 p-90 -59.36 -44.2 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 34.2 t -83.01 105.73 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -174.57 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -76.86 -46.88 22.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' LYS . 4.0 t30 -102.19 -57.3 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 76' ' ' LYS . 7.9 mptt -33.98 -58.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 38.5 m-85 -112.66 -177.97 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -106.58 121.19 43.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.715 HD12 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.715 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 31' ' ' ILE . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.668 ' HB2' HD21 ' A' ' 17' ' ' LEU . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 99' ' ' GLU . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HE2' HG22 ' A' ' 103' ' ' ILE . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -63.25 106.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -166.18 153.43 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.5 t-80 -68.02 161.8 25.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -163.52 159.18 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -38.04 111.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.08 13.27 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.1 t -75.0 -40.44 60.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.81 146.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 154.03 67.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 t -111.26 139.02 46.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 99.5 p -79.44 114.34 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -69.9 160.56 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -94.7 91.4 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.63 -132.58 31.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -95.86 145.54 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -130.27 157.19 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.03 -96.02 2.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.608 ' CB ' HG22 ' A' ' 114' ' ' VAL . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.53 ' CB ' HD11 ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 31' ' ' ILE . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG21 HD21 ' A' ' 17' ' ' LEU . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 16' ' ' SER . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.606 HD21 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.701 ' CZ2' ' CE1' ' A' ' 77' ' ' TYR . 1.1 p-90 -52.52 -26.13 12.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 4.3 t -72.23 -25.64 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -38.5 -26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 40.1 mm-40 -83.54 154.31 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -91.13 38.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -123.73 -12.47 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CE1' ' CZ2' ' A' ' 71' ' ' TRP . 7.5 t80 -105.87 163.09 13.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.54 ' N ' ' CG ' ' A' ' 77' ' ' TYR . 22.4 ttp180 -124.6 124.83 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.554 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.48 ' NE1' ' HA ' ' A' ' 86' ' ' TYR . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.701 ' O ' HD12 ' A' ' 103' ' ' ILE . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 103' ' ' ILE . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 99' ' ' GLU . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 103' ' ' ILE . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' CB ' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.608 HG22 ' CB ' ' A' ' 11' ' ' LEU . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -73.32 96.21 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.85 133.39 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -66.84 154.13 41.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.42 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.49 99.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.6 pp -116.7 41.56 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m -84.67 133.98 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 163.82 -168.01 38.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.7 Cg_endo -69.76 2.53 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.382 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.5 m -36.05 137.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.9 m 58.31 43.76 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.27 89.34 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -151.78 161.26 42.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.37 123.58 7.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -94.97 -55.36 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -46.12 -44.95 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -151.09 21.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' CB ' HG22 ' A' ' 114' ' ' VAL . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.746 ' OE1' HG22 ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 45' ' ' ARG . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 35' ' ' ILE . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.513 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.898 ' CB ' HD13 ' A' ' 49' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.858 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.858 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.609 HH21 HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.746 HG22 ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.2 p-90 -58.39 -39.94 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.482 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 42.5 t -90.01 29.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -91.27 -37.35 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -54.98 -176.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.82 -34.52 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.25 -55.22 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -89.4 156.13 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -120.2 151.16 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.033 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.629 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.033 ' CH2' HD12 ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 98' ' ' LEU . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 95' ' ' LYS . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 103' ' ' ILE . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 99' ' ' GLU . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 103' ' ' ILE . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.582 HG22 ' CB ' ' A' ' 11' ' ' LEU . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -88.0 92.63 9.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -139.9 123.63 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -173.5 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.2 173.43 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.34 115.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.3 pp -128.53 139.49 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.09 142.01 3.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 156.87 62.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.6 p -113.28 160.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -93.23 130.59 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -155.57 137.33 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -133.92 124.77 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 -62.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -88.99 95.3 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 m -60.28 100.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.83 -157.73 14.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 8' ' ' PRO . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 34' ' ' VAL . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 15.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 101' ' ' SER . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 16' ' ' SER . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.7 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.59 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 32' ' ' VAL . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.861 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ILE . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.828 HD21 HH11 ' A' ' 65' ' ' ARG . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 66' ' ' LEU . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.828 HH11 HD21 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 61' ' ' TYR . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' A' ' 19' ' ' GLU . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.6 p-90 -54.61 -42.47 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 10.2 t -58.88 -46.4 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 tp-100 -34.57 -47.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.53 157.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -75.04 62.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -125.25 -51.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.75 164.95 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -101.93 138.24 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.557 ' CG ' HG23 ' A' ' 85' ' ' ILE . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.109 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.109 ' CH2' HD12 ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 31' ' ' ILE . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' HG21 ' A' ' 31' ' ' ILE . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 99' ' ' GLU . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 111' ' ' PRO . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' MET . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -119.7 98.41 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.82 165.42 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 119' ' ' ALA . 3.1 p-80 -60.06 -38.37 82.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 118' ' ' HIS . . . -32.43 144.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t70 63.62 48.12 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -90.46 34.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.8 m -121.51 151.64 40.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.74 64.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.48 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 t 56.29 43.02 27.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.8 m -146.4 129.3 16.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -65.38 83.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -117.23 171.39 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 54.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -141.96 155.59 45.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -70.25 143.34 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 162.38 20.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 114' ' ' VAL . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 32' ' ' VAL . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.703 ' ND2' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.703 ' CD1' ' ND2' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 102' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.51 HG22 ' HG3' ' A' ' 36' ' ' GLU . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 35' ' ' ILE . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 32' ' ' VAL . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 49' ' ' LEU . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA3' ' HZ2' ' A' ' 89' ' ' LYS . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 46' ' ' TYR . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 54' ' ' SER . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.779 ' HA ' HD13 ' A' ' 66' ' ' LEU . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.0 p-90 -46.76 -42.62 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 20.5 t -51.95 -43.76 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -35.88 153.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 8.0 tt0 58.18 25.02 12.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.42 106.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -76.24 50.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -53.75 -177.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -84.79 103.69 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.941 HD12 ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.643 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.941 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.42 HG21 ' HA3' ' A' ' 48' ' ' GLY . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 31' ' ' ILE . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE3' HG22 ' A' ' 103' ' ' ILE . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 12' ' ' ILE . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt -34.34 105.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -126.1 176.63 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 10.0 t60 -60.44 162.3 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . 58.6 37.31 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.542 ' H ' HD13 ' A' ' 121' ' ' LEU . 13.0 t0 -129.1 4.97 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.732 HD22 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -99.3 -176.29 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' LEU . 1.9 t 34.4 42.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.55 -74.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.57 14.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -89.88 -59.36 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -38.57 -56.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -107.2 83.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -97.64 121.55 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.6 121.13 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -58.38 110.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -98.26 -55.89 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 -96.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' A' ' 114' ' ' VAL . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.557 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG21 ' A' ' 69' ' ' VAL . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 19' ' ' GLU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' OE2' HG23 ' A' ' 31' ' ' ILE . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 65' ' ' ARG . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.582 HG23 ' OE2' ' A' ' 19' ' ' GLU . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG2' HD22 ' A' ' 44' ' ' LEU . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG22 ' HG3' ' A' ' 36' ' ' GLU . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' HG22 ' A' ' 35' ' ' ILE . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.737 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 32' ' ' VAL . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' HB2' ' A' ' 55' ' ' TYR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 49' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.534 ' NE ' HD21 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 HD23 ' A' ' 17' ' ' LEU . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' CYS . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 -33.3 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' GLY . 1.8 t -86.64 41.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . 6.5 pt20 -88.15 -48.9 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HD2' ' A' ' 76' ' ' LYS . 51.5 mm-40 -67.22 -175.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' C ' ' HE2' ' A' ' 76' ' ' LYS . 8.4 m-80 -97.87 39.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' C ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -87.62 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 5.6 m-85 -118.21 176.28 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -121.17 129.75 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 72' ' ' CYS . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.99 HD12 ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 85' ' ' ILE . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.99 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 103' ' ' ILE . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 99' ' ' GLU . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.696 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.651 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.696 ' HE2' HG22 ' A' ' 103' ' ' ILE . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 11' ' ' LEU . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -127.12 93.38 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -146.57 166.46 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.483 ' CE1' ' H ' ' A' ' 120' ' ' ASP . 2.8 t-80 -46.8 -71.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 118' ' ' HIS . . . 35.79 45.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.483 ' H ' ' CE1' ' A' ' 118' ' ' HIS . 22.2 t70 -131.29 32.63 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -85.59 174.27 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' LEU . 3.8 t 37.37 40.35 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.75 -73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 157.96 58.63 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.0 p -165.1 174.4 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -70.36 -49.61 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 46.59 42.55 11.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -49.47 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 137.14 2.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -112.65 128.85 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -120.33 121.57 38.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.91 166.56 13.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 110' ' ' LEU . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 18' ' ' ILE . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 69' ' ' VAL . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 46' ' ' TYR . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' HD12 ' A' ' 17' ' ' LEU . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 42' ' ' LEU . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG21 HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD11 HD21 ' A' ' 66' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 44' ' ' LEU . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 44' ' ' LEU . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 19' ' ' GLU . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.536 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 1.9 p-90 -69.63 -41.71 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.437 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 30.2 t -65.34 -40.4 93.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' CYS . 8.9 mm-40 -36.74 -50.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLN . 0.6 OUTLIER -36.99 152.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.53 -31.75 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -46.67 -54.18 10.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.536 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 49.6 m-85 -100.23 158.67 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -114.94 154.13 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.725 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.674 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 85' ' ' ILE . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 103' ' ' ILE . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 99' ' ' GLU . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 103' ' ' ILE . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 18' ' ' ILE . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' CB ' ' A' ' 11' ' ' LEU . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' MET . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -87.01 40.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.11 -56.43 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -101.61 177.62 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.18 169.67 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -47.13 144.29 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.65 -38.28 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 t -56.37 166.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.32 -97.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.22 30.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -50.55 126.11 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.6 p -132.24 115.62 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.5 81.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -52.31 148.25 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.67 -130.33 2.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -67.58 168.21 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -122.37 87.39 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.93 -165.82 11.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' HD12 ' A' ' 11' ' ' LEU . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CB ' HG22 ' A' ' 114' ' ' VAL . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' A' ' 42' ' ' LEU . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 31' ' ' ILE . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 21' ' ' GLN . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.659 ' H ' HD12 ' A' ' 20' ' ' LEU . 5.5 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 17' ' ' LEU . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.747 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.1 OUTLIER -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 46' ' ' TYR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 23.2 tp60 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -46.83 -38.74 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 29.9 t -55.32 -38.48 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -47.56 -48.63 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.9 25.96 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' CYS . 4.4 m120 -170.81 107.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' N ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -75.27 48.97 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -68.27 -174.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -77.5 126.26 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.858 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.67 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 85' ' ' ILE . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.858 ' CH2' HD12 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.487 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 99' ' ' GLU . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' HE2' HG22 ' A' ' 103' ' ' ILE . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 11' ' ' LEU . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -94.6 89.92 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -142.04 166.44 24.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -57.31 173.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.0 -47.28 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -159.92 108.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 122' ' ' SER . 3.4 pp -132.49 164.07 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.574 ' HB2' HD12 ' A' ' 121' ' ' LEU . 24.2 t 63.09 43.3 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.33 138.35 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 128.95 16.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.289 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.2 m -66.33 123.52 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.2 t -55.27 134.03 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.04 42.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -126.33 111.22 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 -147.42 4.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -50.52 122.29 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -68.75 153.43 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 -170.55 42.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' HD12 ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' GLU . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' ILE . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 65' ' ' ARG . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 4.8 m120 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.956 HD12 HD12 ' A' ' 98' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ILE . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' LEU . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -58.97 -28.83 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' GLN . 4.1 t -90.6 -38.92 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.0 tt0 -34.45 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.58 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -95.2 68.57 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -126.26 -44.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -123.03 177.1 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -103.07 123.8 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.548 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.648 HD12 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.435 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.648 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.956 HD12 HD12 ' A' ' 31' ' ' ILE . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HA ' HD13 ' A' ' 103' ' ' ILE . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HE2' HG22 ' A' ' 103' ' ' ILE . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 111' ' ' PRO . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -83.12 94.48 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -158.56 119.68 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -157.27 174.62 15.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 120' ' ' ASP . . . -131.65 83.46 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 119' ' ' ALA . 13.5 t0 34.47 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 11.9 mt -41.57 121.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.7 m -64.34 -38.34 90.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 124' ' ' PRO . . . 92.39 97.52 1.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 123' ' ' GLY . 54.0 Cg_endo -69.72 137.07 34.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 2.246 . . . . 0.0 112.407 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 t -66.36 156.51 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -87.96 113.63 23.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -89.19 134.21 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -174.05 139.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 63.47 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -105.05 101.74 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -48.97 152.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.44 -157.26 15.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 34' ' ' VAL . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.814 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 98' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 44' ' ' LEU . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' SER . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.79 HD11 HD21 ' A' ' 66' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 55' ' ' TYR . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.711 ' HB2' HD13 ' A' ' 49' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 28.2 tp60 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 65' ' ' ARG . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.8 ' HB2' HD12 ' A' ' 66' ' ' LEU . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 59' ' ' LEU . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 63' ' ' ASP . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -49.53 -34.73 18.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 11.1 t -97.65 101.45 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 76' ' ' LYS . 10.2 mp0 -75.07 -174.3 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 73' ' ' GLN . 7.0 tp10 -33.39 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -134.74 88.67 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -105.88 -69.79 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -103.46 -72.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -171.97 105.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.671 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.676 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 31' ' ' ILE . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 103' ' ' ILE . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 99' ' ' GLU . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 99' ' ' GLU . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.814 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 103' ' ' ILE . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -97.49 106.61 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.55 132.05 51.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.492 ' NE2' HD11 ' A' ' 121' ' ' LEU . 5.8 t-80 -81.5 -55.82 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.28 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.8 t0 51.67 54.91 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.492 HD11 ' NE2' ' A' ' 118' ' ' HIS . 5.0 mp -66.41 119.2 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.1 m -64.25 157.05 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.56 84.44 1.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.26 9.89 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -61.57 140.02 58.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.6 p -159.09 145.34 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -166.01 144.89 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -166.1 124.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.82 118.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -76.28 134.25 39.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -139.8 122.14 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.94 -163.78 2.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD23 HG21 ' A' ' 69' ' ' VAL . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 19' ' ' GLU . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 18' ' ' ILE . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 65' ' ' ARG . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 5.0 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 17' ' ' LEU . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 55' ' ' TYR . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 49' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 HD23 ' A' ' 17' ' ' LEU . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 -61.75 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 15.0 t -83.94 33.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -70.73 -54.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -61.76 -174.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.455 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -83.3 36.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.66 ' N ' ' HZ2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -54.12 -70.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -124.66 -175.22 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.39 106.95 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.555 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.667 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 102' ' ' LEU . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 99' ' ' GLU . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.646 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.646 ' HE2' HG22 ' A' ' 103' ' ' ILE . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' PRO . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -91.62 43.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -148.92 164.67 33.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -129.27 178.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.76 -46.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -173.28 127.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.41 146.17 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t -131.1 -37.46 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.86 -100.36 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.06 20.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -73.77 -51.15 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.4 m -57.04 162.79 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -133.72 109.92 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.15 149.05 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.45 -127.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 176.41 5.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -79.18 144.84 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.36 37.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CB ' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.551 ' CB ' HD11 ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 19' ' ' GLU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 18' ' ' ILE . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 102' ' ' LEU . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CG2' HD22 ' A' ' 44' ' ' LEU . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' SER . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.539 HD12 ' NH2' ' A' ' 45' ' ' ARG . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD22 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HD12 ' A' ' 35' ' ' ILE . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' HB2' HD13 ' A' ' 49' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TRP . . . . . 0.484 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.3 p-90 -66.91 -43.56 83.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 39.5 t -69.01 -29.69 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -39.37 -54.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -63.03 -172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.68 48.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -84.4 -62.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -148.89 -176.29 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -91.28 132.44 36.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 HD12 ' CH2' ' A' ' 94' ' ' TRP . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.757 ' O ' HD12 ' A' ' 103' ' ' ILE . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.828 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.713 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -81.9 90.1 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -101.65 -57.83 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 17.8 t60 -163.38 162.03 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -38.58 148.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -83.6 49.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -42.49 144.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.3 p -75.88 159.16 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.92 68.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.4 p -117.05 153.65 32.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.62 173.7 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-O 121.446 0.47 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.696 HD11 ' HE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 69' ' ' VAL . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD21 HE22 ' A' ' 57' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 102' ' ' LEU . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 46' ' ' TYR . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 16' ' ' SER . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HA ' HG12 ' A' ' 32' ' ' VAL . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.518 ' OE1' HD12 ' A' ' 59' ' ' LEU . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 57' ' ' GLN . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.696 ' HE2' HD11 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.0 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.804 0.335 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.684 HD12 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.632 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.585 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CH2' HD12 ' A' ' 85' ' ' ILE . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 31' ' ' ILE . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.712 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.468 ' CE ' HG22 ' A' ' 103' ' ' ILE . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 12' ' ' ILE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 121.445 0.469 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 114' ' ' VAL . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 69' ' ' VAL . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 98' ' ' LEU . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 46' ' ' TYR . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.622 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 66' ' ' LEU . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 46' ' ' TYR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.55 ' OD2' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.424 HD21 HD11 ' A' ' 44' ' ' LEU . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.903 HD12 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.635 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.903 ' CH2' HD12 ' A' ' 85' ' ' ILE . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 31' ' ' ILE . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' CD2' HD11 ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 11' ' ' LEU . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 121.463 0.48 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 114' ' ' VAL . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' HD21 ' A' ' 110' ' ' LEU . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 HG21 ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 19' ' ' GLU . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 18' ' ' ILE . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.469 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.613 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 66' ' ' LEU . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.695 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.505 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 44' ' ' LEU . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.411 ' HE2' ' OE1' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.752 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.666 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.752 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.613 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.724 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 103' ' ' ILE . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 99' ' ' GLU . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CE ' HG22 ' A' ' 103' ' ' ILE . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 12' ' ' ILE . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 11' ' ' LEU . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 121.471 0.484 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 110' ' ' LEU . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 26.3 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 98' ' ' LEU . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' SER . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.622 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG22 ' NE1' ' A' ' 30' ' ' TRP . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.9 tp-100 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 HD12 ' A' ' 44' ' ' LEU . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 61' ' ' TYR . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.949 HD12 ' CH2' ' A' ' 94' ' ' TRP . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.677 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.949 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 31' ' ' ILE . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HA ' HD13 ' A' ' 103' ' ' ILE . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 99' ' ' GLU . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HE2' HG22 ' A' ' 103' ' ' ILE . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 18' ' ' ILE . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 11' ' ' LEU . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.457 0.476 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 37' ' ' ASN . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 69' ' ' VAL . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 17' ' ' LEU . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' OE2' ' HE1' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 65' ' ' ARG . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 40.1 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HD21 ' A' ' 17' ' ' LEU . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 46' ' ' TYR . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 HD21 HG23 ' A' ' 9' ' ' ILE . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.891 HD21 ' NH2' ' A' ' 65' ' ' ARG . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.713 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.891 ' NH2' HD21 ' A' ' 59' ' ' LEU . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 HD23 ' A' ' 17' ' ' LEU . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.998 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.672 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.998 ' CH2' HD12 ' A' ' 85' ' ' ILE . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 99' ' ' GLU . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.785 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-O 121.461 0.478 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' CB ' HG22 ' A' ' 114' ' ' VAL . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 35' ' ' ILE . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.534 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 69' ' ' VAL . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 ' NE2' ' A' ' 57' ' ' GLN . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 38.1 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 98' ' ' LEU . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 46' ' ' TYR . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' SER . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HD11 ' A' ' 42' ' ' LEU . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 37' ' ' ASN . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.791 HD11 HD21 ' A' ' 66' ' ' LEU . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.518 ' NH2' HD12 ' A' ' 35' ' ' ILE . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.602 ' HA ' HG12 ' A' ' 32' ' ' VAL . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 31' ' ' ILE . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.611 ' NE2' HD21 ' A' ' 20' ' ' LEU . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.71 ' OD2' HD22 ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.487 HH21 HD21 ' A' ' 59' ' ' LEU . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.791 HD21 HD11 ' A' ' 44' ' ' LEU . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.81 0.338 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.127 HD12 ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.673 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.127 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.768 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 99' ' ' GLU . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 103' ' ' ILE . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 11' ' ' LEU . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 121.397 0.443 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HB3' HG22 ' A' ' 114' ' ' VAL . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 35' ' ' ILE . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.607 ' CB ' HD11 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 33' ' ' SER . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 19' ' ' GLU . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 18' ' ' ILE . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 98' ' ' LEU . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 66' ' ' LEU . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.707 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 8' ' ' PRO . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HD22 ' A' ' 59' ' ' LEU . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 44' ' ' LEU . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' LEU . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.495 ' CZ2' ' HB ' ' A' ' 85' ' ' ILE . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 31' ' ' ILE . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HE2' HG22 ' A' ' 103' ' ' ILE . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.607 HD11 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' LEU . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.431 0.462 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.593 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CB ' HG22 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 114' ' ' VAL . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.46 ' CB ' HD11 ' A' ' 110' ' ' LEU . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.903 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 45' ' ' ARG . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 35' ' ' ILE . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 55' ' ' TYR . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CD2' HG21 ' A' ' 52' ' ' THR . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' OD2' HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HG2' ' CD2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.806 HD12 ' CH2' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.679 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.679 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.586 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.806 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HD12 ' A' ' 31' ' ' ILE . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 102' ' ' LEU . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 99' ' ' GLU . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.523 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.445 ' NZ ' HG22 ' A' ' 103' ' ' ILE . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 18' ' ' ILE . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 12' ' ' ILE . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.493 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 121.441 0.467 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.523 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 33' ' ' SER . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 44' ' ' LEU . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 98' ' ' LEU . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 42' ' ' LEU . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.684 ' HB2' HD12 ' A' ' 49' ' ' LEU . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 46' ' ' TYR . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.448 ' CG ' HD22 ' A' ' 59' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.485 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.715 HD12 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.715 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 31' ' ' ILE . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.668 ' HB2' HD21 ' A' ' 17' ' ' LEU . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 99' ' ' GLU . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HE2' HG22 ' A' ' 103' ' ' ILE . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 121.469 0.483 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.608 ' CB ' HG22 ' A' ' 114' ' ' VAL . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.53 ' CB ' HD11 ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 31' ' ' ILE . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG21 HD21 ' A' ' 17' ' ' LEU . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 16' ' ' SER . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.434 HD22 HD11 ' A' ' 42' ' ' LEU . 2.8 t-20 -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.451 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' NH2' ' OE1' ' A' ' 28' ' ' GLN . 22.4 ttp180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.554 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.48 ' NE1' ' HA ' ' A' ' 86' ' ' TYR . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.701 ' O ' HD12 ' A' ' 103' ' ' ILE . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 103' ' ' ILE . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 99' ' ' GLU . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 103' ' ' ILE . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' CB ' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.608 HG22 ' CB ' ' A' ' 11' ' ' LEU . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 121.422 0.457 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' CB ' HG22 ' A' ' 114' ' ' VAL . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.746 ' OE1' HG22 ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 45' ' ' ARG . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 35' ' ' ILE . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.513 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.898 ' CB ' HD13 ' A' ' 49' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.858 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.858 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.609 HH21 HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.746 HG22 ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.2 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.033 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.629 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.033 ' CH2' HD12 ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 98' ' ' LEU . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 95' ' ' LYS . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 103' ' ' ILE . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 99' ' ' GLU . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 103' ' ' ILE . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.582 HG22 ' CB ' ' A' ' 11' ' ' LEU . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 CA-C-O 121.414 0.452 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 8' ' ' PRO . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 34' ' ' VAL . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' A' ' 28' ' ' GLN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' A' ' 22' ' ' ASP . 35.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 101' ' ' SER . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 16' ' ' SER . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.694 HD22 HD11 ' A' ' 42' ' ' LEU . 4.1 t-20 -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 37' ' ' ASN . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 32' ' ' VAL . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.861 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ILE . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.828 HD21 HH11 ' A' ' 65' ' ' ARG . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 66' ' ' LEU . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.828 HH11 HD21 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 61' ' ' TYR . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' A' ' 19' ' ' GLU . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.557 ' CG ' HG23 ' A' ' 85' ' ' ILE . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.109 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.639 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.109 ' CH2' HD12 ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 31' ' ' ILE . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' HG21 ' A' ' 31' ' ' ILE . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 99' ' ' GLU . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 111' ' ' PRO . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' MET . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 121.469 0.483 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 114' ' ' VAL . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 32' ' ' VAL . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 5.7 t-20 -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD1' ' OD1' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 102' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.51 HG22 ' HG3' ' A' ' 36' ' ' GLU . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 35' ' ' ILE . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 32' ' ' VAL . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 49' ' ' LEU . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA3' ' HZ2' ' A' ' 89' ' ' LYS . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 46' ' ' TYR . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 54' ' ' SER . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.779 ' HA ' HD13 ' A' ' 66' ' ' LEU . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.548 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.941 HD12 ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.643 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.941 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.42 HG21 ' HA3' ' A' ' 48' ' ' GLY . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 31' ' ' ILE . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE3' HG22 ' A' ' 103' ' ' ILE . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 12' ' ' ILE . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 121.468 0.482 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' A' ' 114' ' ' VAL . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.557 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG21 ' A' ' 69' ' ' VAL . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 19' ' ' GLU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.582 ' OE2' HG23 ' A' ' 31' ' ' ILE . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 65' ' ' ARG . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.582 HG23 ' OE2' ' A' ' 19' ' ' GLU . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG2' HD22 ' A' ' 44' ' ' LEU . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG22 ' HG3' ' A' ' 36' ' ' GLU . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' HG22 ' A' ' 35' ' ' ILE . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.737 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 32' ' ' VAL . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' HB2' ' A' ' 55' ' ' TYR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 49' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.534 ' NE ' HD21 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 HD23 ' A' ' 17' ' ' LEU . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 71' ' ' TRP . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.822 0.344 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.99 HD12 ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 85' ' ' ILE . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.99 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 103' ' ' ILE . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 99' ' ' GLU . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.696 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.651 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.696 ' HE2' HG22 ' A' ' 103' ' ' ILE . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 11' ' ' LEU . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 121.47 0.483 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 110' ' ' LEU . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 18' ' ' ILE . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 69' ' ' VAL . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 46' ' ' TYR . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' HD12 ' A' ' 17' ' ' LEU . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 42' ' ' LEU . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG21 HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.651 HD11 HD21 ' A' ' 66' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.571 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 44' ' ' LEU . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 44' ' ' LEU . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 19' ' ' GLU . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.748 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.725 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.674 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 85' ' ' ILE . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 103' ' ' ILE . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 99' ' ' GLU . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 103' ' ' ILE . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 18' ' ' ILE . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' CB ' ' A' ' 11' ' ' LEU . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' MET . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 121.464 0.48 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' HD12 ' A' ' 11' ' ' LEU . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CB ' HG22 ' A' ' 114' ' ' VAL . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' A' ' 42' ' ' LEU . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 31' ' ' ILE . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 21' ' ' GLN . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.659 ' H ' HD12 ' A' ' 20' ' ' LEU . 13.2 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 17' ' ' LEU . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.497 HD22 HD11 ' A' ' 42' ' ' LEU . 5.6 t-20 -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 46' ' ' TYR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.5 tp-100 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.858 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.67 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 85' ' ' ILE . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.858 ' CH2' HD12 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.487 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 99' ' ' GLU . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.443 ' HE2' HG22 ' A' ' 103' ' ' ILE . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 11' ' ' LEU . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 121.444 0.469 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' HD12 ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' GLU . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' ILE . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 65' ' ' ARG . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 49.2 m-20 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.956 HD12 HD12 ' A' ' 98' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ILE . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' NE2' HD21 ' A' ' 20' ' ' LEU . 20.7 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' LEU . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.548 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.648 HD12 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.435 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.648 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.956 HD12 HD12 ' A' ' 31' ' ' ILE . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HA ' HD13 ' A' ' 103' ' ' ILE . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HE2' HG22 ' A' ' 103' ' ' ILE . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 111' ' ' PRO . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 121.442 0.468 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 34' ' ' VAL . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.814 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 98' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 44' ' ' LEU . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' SER . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.79 HD11 HD21 ' A' ' 66' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 55' ' ' TYR . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.711 ' HB2' HD13 ' A' ' 49' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.4 tp-100 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 65' ' ' ARG . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.8 ' HB2' HD12 ' A' ' 66' ' ' LEU . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 59' ' ' LEU . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 63' ' ' ASP . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.798 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.671 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.676 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 31' ' ' ILE . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 103' ' ' ILE . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 99' ' ' GLU . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 99' ' ' GLU . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.814 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 103' ' ' ILE . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 121.451 0.473 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.783 HD23 HG21 ' A' ' 69' ' ' VAL . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 19' ' ' GLU . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 18' ' ' ILE . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 65' ' ' ARG . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 28.9 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 17' ' ' LEU . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 55' ' ' TYR . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 49' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 HD23 ' A' ' 17' ' ' LEU . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.555 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.667 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 102' ' ' LEU . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 99' ' ' GLU . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.646 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.646 ' HE2' HG22 ' A' ' 103' ' ' ILE . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' PRO . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 CA-C-O 121.374 0.43 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CB ' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.551 ' CB ' HD11 ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 19' ' ' GLU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 18' ' ' ILE . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 102' ' ' LEU . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CG2' HD22 ' A' ' 44' ' ' LEU . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' SER . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.539 HD12 ' NH2' ' A' ' 45' ' ' ARG . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 HD22 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HD12 ' A' ' 35' ' ' ILE . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' HB2' HD13 ' A' ' 49' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.3 p-90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.742 HD12 ' CH2' ' A' ' 94' ' ' TRP . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.757 ' O ' HD12 ' A' ' 103' ' ' ILE . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.828 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.713 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -174.56 121.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.881 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -118.23 95.61 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.27 -138.98 10.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -67.35 172.32 5.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.897 0.379 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -88.42 103.22 15.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.81 -158.03 9.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.46 35.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.397 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.696 HD11 ' HE2' ' A' ' 61' ' ' TYR . 43.9 mm -60.77 -37.48 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -78.02 -27.08 48.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.59 -43.4 85.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 114' ' ' VAL . 23.6 mt -82.36 135.18 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.6 p -134.16 136.66 43.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.6 p -35.65 131.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.46 -30.81 8.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.563 ' O ' HG23 ' A' ' 34' ' ' VAL . 3.1 m -46.67 127.86 9.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.9 tp -87.87 131.68 34.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 19' ' ' GLU . 7.5 mt -143.27 161.37 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' HG22 ' A' ' 69' ' ' VAL . 8.1 mm-40 -93.91 157.94 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD21 HE22 ' A' ' 57' ' ' GLN . 14.7 tp -143.35 153.35 42.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 41.3 tt0 -100.1 161.8 13.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 21' ' ' GLN . 3.3 t0 -100.07 131.56 45.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 p -54.01 -39.01 65.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -90.44 -42.19 11.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' OD1' ' CB ' ' A' ' 28' ' ' GLN . 9.2 t-20 -104.97 91.91 4.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -40.03 5.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 80.2 m-85 -69.77 -31.54 69.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 27.4 tt0 -87.59 145.15 26.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.454 ' CE1' ' O ' ' A' ' 27' ' ' PHE . 40.8 m-85 -137.37 174.61 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 71.2 t-105 -150.09 162.67 39.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 102' ' ' LEU . 49.3 mt -98.61 131.58 45.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' ' 46' ' ' TYR . 13.6 m -128.53 167.41 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.2 t -131.51 127.77 37.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 16' ' ' SER . 92.8 t -53.97 114.92 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.134 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mm -83.89 -38.4 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -160.82 146.37 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -122.79 106.59 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.35 88.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.67 43.38 91.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.615 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 100.67 -10.66 59.21 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 49.8 mtm-85 -84.16 93.72 8.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.7 mm? -91.51 112.68 24.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 43.3 ttt180 -86.38 92.54 8.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -77.19 151.84 35.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 46' ' ' TYR . 33.7 ttm180 -151.11 111.95 4.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HA ' HG12 ' A' ' 32' ' ' VAL . 8.7 m-85 -37.36 121.11 0.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -51.79 136.96 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.45 -31.68 7.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.0 mt -97.31 21.46 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -50.53 -42.9 55.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.42 -59.03 5.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 8.8 t -73.92 151.55 40.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -130.77 51.5 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -124.81 -40.93 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.483 ' CE2' HD13 ' A' ' 88' ' ' LEU . 13.3 m-85 -88.64 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.904 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -90.93 178.98 5.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.518 ' OE1' HD12 ' A' ' 59' ' ' LEU . 10.6 tt0 -156.75 133.53 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 27.5 m95 -109.68 135.21 50.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD12 ' OE1' ' A' ' 57' ' ' GLN . 10.9 mt -150.96 168.46 24.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 3.7 t80 -108.28 147.87 30.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.696 ' HE2' HD11 ' A' ' 9' ' ' ILE . 6.8 p90 -57.59 -11.79 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 58.8 mt -91.61 34.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -108.5 165.36 11.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.416 ' O ' ' NE ' ' A' ' 67' ' ' ARG . 43.5 p90 -93.61 -31.81 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -59.16 -40.82 86.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.2 mt -57.41 109.5 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 64' ' ' TYR . 1.5 mpt_? -129.94 152.25 79.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 143.17 49.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.9 t -75.87 119.06 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.22 -29.61 2.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.41 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.0 p-90 -60.95 -40.22 92.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.746 0.308 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 53.2 t -64.16 -14.07 52.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -83.51 0.59 45.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -98.12 -38.65 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -116.21 -33.46 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 77' ' ' TYR . 1.9 mppt? 58.76 33.15 22.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' LYS . 59.3 m-85 -34.47 -58.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -174.55 109.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.6 tpt -105.65 92.54 4.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.19 140.93 13.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 169.07 19.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.638 2.225 . . . . 0.0 112.328 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.558 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.2 Cg_endo -69.84 150.1 67.24 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.464 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.8 p -65.36 -12.09 48.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -74.18 -17.99 60.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.684 HD12 ' CH2' ' A' ' 94' ' ' TRP . 14.1 pt -124.98 -36.7 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.632 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -37.36 -52.54 2.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.716 0.77 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.81 -33.23 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 55' ' ' TYR . 46.4 mt -52.9 -38.23 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.585 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.2 mtpm? -120.18 168.44 11.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 93' ' ' GLU . 15.7 mtp -79.47 137.38 37.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.02 -38.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.3 p -67.97 -40.28 83.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.3 mt-10 -63.36 -30.08 71.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.684 ' CH2' HD12 ' A' ' 85' ' ' ILE . 31.0 m95 -79.78 -30.83 40.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -80.98 -32.79 34.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -62.26 -59.97 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -63.72 -21.87 66.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 47.1 tp -71.16 -47.1 59.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.738 ' O ' HD12 ' A' ' 103' ' ' ILE . 12.8 mt-10 -68.17 -62.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -44.46 -42.54 7.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 m -61.96 -50.29 72.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD11 ' A' ' 31' ' ' ILE . 53.0 mt -43.24 -47.64 6.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -62.63 -51.96 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.49 -43.65 11.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.712 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.4 -34.41 64.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.061 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.19 -11.21 59.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.079 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.468 ' CE ' HG22 ' A' ' 103' ' ' ILE . 32.6 mttt -101.59 -27.67 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.616 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 44.5 m-85 -132.21 44.11 1.26 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.2 Cg_endo -69.75 153.3 69.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.244 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.09 153.05 38.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 136.88 34.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.9 ptt? -45.47 -39.9 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 38.5 mt-10 -34.49 -49.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 12' ' ' ILE . 44.0 t -41.9 -51.66 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 47.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -84.09 96.46 8.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.61 175.13 9.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.5 ' CD2' ' N ' ' A' ' 119' ' ' ALA . 1.6 t-80 -168.41 139.22 2.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.5 ' N ' ' CD2' ' A' ' 118' ' ' HIS . . . -165.87 171.13 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ALA . 39.2 m-20 -37.89 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.22 13.68 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -64.93 153.71 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -52.93 165.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.526 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 173.55 10.82 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.1 p -146.45 134.08 21.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.6 t -71.78 140.75 49.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -120.28 113.8 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.374 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -129.34 138.84 51.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.75 -80.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -80.37 140.55 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -54.06 96.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.78 -161.52 17.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.566 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.79 -33.53 16.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.553 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 69.5 mt -46.99 -48.39 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.59 -40.2 86.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HB2' HG22 ' A' ' 114' ' ' VAL . 87.4 mt -53.59 -39.22 64.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.97 145.81 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.1 p -144.1 129.77 19.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.2 p -34.54 132.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.03 -34.21 5.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 73.8 m -48.94 129.31 17.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.849 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 33' ' ' SER . 4.6 tp -86.35 135.67 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 19' ' ' GLU . 37.6 mt -143.73 156.52 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG3' HG22 ' A' ' 69' ' ' VAL . 14.4 mt-10 -95.49 155.36 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.1 tp -138.26 154.16 49.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 14.6 tt0 -98.98 130.93 45.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 27.7 m-20 -44.78 133.08 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' OG ' ' NE2' ' A' ' 24' ' ' GLN . 67.3 p -50.85 -29.31 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.44 ' NE2' ' OG ' ' A' ' 23' ' ' SER . 7.4 mp0 -116.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.439 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 27.1 m-20 -54.15 108.24 1.08 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.621 0.724 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 54.0 Cg_endo -69.78 -46.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.32 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -92.68 46.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 10.5 tt0 -152.3 133.4 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 10.9 m-85 -131.68 166.36 21.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.4 t-105 -141.5 166.22 25.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 98' ' ' LEU . 64.3 mt -100.37 133.96 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 46' ' ' TYR . 10.9 m -137.85 170.15 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.622 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.4 t -136.16 138.16 41.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.3 t -61.12 120.95 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.43 -43.51 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -152.53 144.04 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -122.07 106.53 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.47 96.98 4.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.55 30.64 56.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.527 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 107.1 -3.49 35.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.462 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -86.94 87.05 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.4 mm? -83.65 109.74 17.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.4 ttt180 -80.55 101.57 9.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 66' ' ' LEU . 6.2 mt -88.71 141.91 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 57.3 ttp180 -135.49 113.21 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.57 115.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.945 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.6 m -45.36 142.16 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.41 -29.47 11.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 HD12 ' HB2' ' A' ' 46' ' ' TYR . 7.6 mt -104.07 25.09 10.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 20.8 mt-10 -52.12 -50.08 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.92 -54.89 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -80.6 153.52 27.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -131.34 45.19 2.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -110.57 -44.79 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.521 ' CE2' HD13 ' A' ' 88' ' ' LEU . 7.5 m-85 -86.94 43.7 1.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.76 164.36 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -146.82 141.08 26.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -110.58 139.62 45.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.55 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.7 mt -147.38 166.4 27.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -110.13 131.36 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 13.7 p90 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 32.8 mt -47.84 -48.28 30.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.55 ' OD2' HD22 ' A' ' 59' ' ' LEU . 1.2 m-20 -34.6 147.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' ARG . 41.4 p90 -86.07 -47.21 9.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' TYR . 8.0 ptp180 -34.5 -38.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.424 HD21 HD11 ' A' ' 44' ' ' LEU . 21.9 mt -59.42 95.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -115.27 154.06 47.44 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.668 0.747 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.01 56.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.658 HG22 ' HG3' ' A' ' 19' ' ' GLU . 92.4 t -71.93 132.41 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 131.15 -43.38 1.3 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.7 p-90 -48.46 -36.35 14.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.734 0.302 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 t -57.33 -68.96 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 73' ' ' GLN . 0.4 OUTLIER -50.62 -30.94 14.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -61.67 -34.65 76.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' LYS . 3.9 t-20 -119.76 28.12 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 75' ' ' ASN . 0.4 OUTLIER 36.09 37.58 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -62.32 -174.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -98.31 113.9 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.458 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 8.6 ttm -114.1 79.62 1.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -128.36 138.5 33.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.575 0.702 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.8 166.16 28.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.633 2.222 . . . . 0.0 112.351 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 149.21 66.21 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 t -64.54 -9.29 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -72.89 -22.45 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.903 HD12 ' CH2' ' A' ' 94' ' ' TRP . 26.2 pt -125.47 -32.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.635 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.94 -52.22 2.93 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.2 Cg_endo -69.78 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.246 . . . . 0.0 112.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD13 ' CE2' ' A' ' 55' ' ' TYR . 76.7 mt -49.64 -36.54 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 8.0 mtpm? -122.69 166.77 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.9 mmm -76.66 136.05 39.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.48 -41.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 93.8 p -64.59 -42.2 95.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 90' ' ' MET . 45.4 mt-10 -58.14 -36.64 73.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.903 ' CH2' HD12 ' A' ' 85' ' ' ILE . 37.2 m95 -74.07 -35.55 64.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -71.17 -35.72 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -59.07 -70.4 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -57.09 -23.53 47.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 HD12 HD12 ' A' ' 31' ' ' ILE . 33.4 tp -68.56 -43.11 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.712 ' O ' HD12 ' A' ' 103' ' ' ILE . 14.1 mt-10 -73.45 -64.99 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.54 ' HA ' HD13 ' A' ' 103' ' ' ILE . 2.2 mptp? -39.88 -44.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 m -58.21 -57.67 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' CD2' HD11 ' A' ' 31' ' ' ILE . 42.2 mt -37.91 -44.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -62.6 -53.91 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -46.71 -37.98 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.518 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.69 -36.85 62.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.86 -15.41 59.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -98.89 -24.35 15.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 43.8 m-85 -134.13 44.08 1.14 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.72 165.2 31.71 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 27.2 mt -115.96 156.09 47.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.641 0.734 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 126.85 13.74 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' ' C ' ' A' ' 113' ' ' GLU . 58.7 mtp -41.76 -37.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 112' ' ' MET . 52.8 mt-10 -36.2 -47.98 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.487 HG22 ' HB2' ' A' ' 11' ' ' LEU . 52.4 t -49.03 -59.15 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -90.03 47.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -95.78 82.75 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -129.35 90.57 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -172.14 169.63 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -134.76 78.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 25.2 t0 48.0 29.64 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.4 mt -86.67 137.23 32.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -125.46 165.78 17.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -51.16 142.51 17.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 156.15 64.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.7 p -92.22 132.24 36.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 54.3 p -57.62 128.96 39.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m 61.13 42.28 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.5 p -134.4 145.84 49.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.77 83.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 p -131.09 99.26 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 t -46.35 150.66 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.58 -162.57 24.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.78 -38.05 8.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 0.0 112.338 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -39.67 -44.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.55 -44.1 97.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 114' ' ' VAL . 85.2 mt -44.8 -43.0 8.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' HD21 ' A' ' 110' ' ' LEU . 19.5 mt -77.4 135.92 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' VAL . 60.1 p -129.41 128.02 42.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 4.6 p -34.03 132.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.52 -31.34 8.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -47.18 148.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.4 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD21 HG21 ' A' ' 31' ' ' ILE . 6.6 tp -101.26 128.76 47.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.902 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 19' ' ' GLU . 10.4 mm -131.3 161.93 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' N ' HG22 ' A' ' 18' ' ' ILE . 7.5 mt-10 -104.21 149.45 25.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 18.5 tp -130.88 156.03 45.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.469 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 32.4 tt0 -104.95 139.13 40.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 24' ' ' GLN . 11.5 t0 -69.4 109.56 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -41.29 -25.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 22' ' ' ASP . 60.6 mt-30 -90.91 -56.97 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 6.2 t-20 -98.29 105.99 32.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.534 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 53.3 Cg_endo -69.76 -6.13 17.85 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.534 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 41.4 m-85 -102.32 -34.72 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.41 139.6 33.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -133.97 173.91 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.613 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 30.1 t-105 -147.29 169.44 19.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 HD21 ' A' ' 17' ' ' LEU . 53.0 mt -105.54 135.78 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 m -134.61 167.88 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 t -130.52 130.99 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -55.97 116.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.1 mm -87.71 -46.91 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -151.35 145.04 25.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.4 t-20 -122.8 101.82 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -108.69 92.04 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.13 37.95 65.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 104.7 -8.24 46.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -85.06 92.52 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.895 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.28 118.44 29.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 55.4 ttt180 -90.91 95.56 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD11 HD21 ' A' ' 66' ' ' LEU . 6.4 mt -85.54 139.83 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 50' ' ' GLU . 40.8 ttp85 -134.36 121.94 21.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.695 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.4 m-85 -44.27 118.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.5 m -52.36 140.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.6 19.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.695 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -103.79 31.14 4.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.331 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 8.9 pt-20 -58.91 -33.04 70.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -60.45 -55.66 30.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.4 t -76.75 153.84 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -127.61 42.24 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -120.26 -37.72 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 88' ' ' LEU . 11.2 m-85 -86.67 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.96 171.01 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -147.77 149.17 31.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.451 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.7 m95 -125.37 139.54 53.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 mt -149.11 171.52 16.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 1.5 t80 -112.24 129.51 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.505 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 32.3 p90 -40.05 -25.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.505 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 57.2 mt -85.05 33.57 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.78 142.66 45.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 2.6 p90 -68.67 -43.88 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.48 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 24.0 mtt180 -43.15 -44.84 5.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 HD11 ' A' ' 44' ' ' LEU . 69.6 mt -60.0 95.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -116.01 155.49 47.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.95 46.39 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.99 118.41 20.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.31 -26.2 2.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CH2' ' CD2' ' A' ' 77' ' ' TYR . 2.6 p-90 -73.95 -38.33 64.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.701 0.286 . . . . 0.0 110.918 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' GLN . 17.5 t -69.24 -42.88 75.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.452 ' NE2' HD21 ' A' ' 102' ' ' LEU . 1.8 mp0 -34.8 -52.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -52.91 179.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.36 37.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -91.89 -45.66 8.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.436 ' CD2' ' CH2' ' A' ' 71' ' ' TRP . 10.3 m-85 -135.56 -175.19 3.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -109.17 136.23 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.411 ' HE2' ' OE1' ' A' ' 19' ' ' GLU . 46.2 tpp -108.85 86.15 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -145.81 141.47 16.78 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.608 0.718 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.572 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.7 170.54 16.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.282 . . . . 0.0 112.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -170.61 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 p -105.02 6.56 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -91.59 -11.48 37.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.752 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.2 pt -127.96 -32.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.666 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.1 t80 -41.2 -51.02 8.21 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.68 0.752 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.76 -23.31 30.94 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 90.2 mt -66.15 -41.59 90.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 22.7 mtpp -117.98 158.24 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 8.4 mtp -70.49 137.69 50.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -36.54 -43.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 45.6 m -57.68 -48.76 78.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.7 OUTLIER -52.27 -47.06 66.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.752 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.3 m95 -66.9 -31.7 72.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -77.05 -31.55 56.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.54 -58.39 4.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.7 t -61.87 -22.7 65.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.613 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 49.3 tp -68.69 -48.02 64.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.724 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.1 mt-10 -68.84 -64.64 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HA ' HD13 ' A' ' 103' ' ' ILE . 33.9 mtpt -39.84 -51.02 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' LEU . 71.9 m -51.89 -59.39 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.691 HD12 ' HA ' ' A' ' 99' ' ' GLU . 22.8 mt -36.05 -50.53 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.724 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -58.05 -49.15 82.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.96 -41.08 32.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.32 -37.47 72.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.064 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.62 -13.03 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.066 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.521 ' CE ' HG22 ' A' ' 103' ' ' ILE . 33.6 mttt -99.46 -32.42 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.8 m-85 -126.68 44.1 1.16 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.73 164.48 34.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' A' ' 12' ' ' ILE . 17.4 mt -116.06 155.24 48.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.652 0.739 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.9 Cg_endo -69.76 123.01 9.68 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.254 . . . . 0.0 112.33 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' PRO . 59.2 mtt -37.08 -36.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' MET . 20.6 mt-10 -37.34 -44.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' CB ' ' A' ' 11' ' ' LEU . 47.0 t -48.9 -56.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.04 43.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.94 -41.01 91.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.92 114.72 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.528 ' CE1' HD23 ' A' ' 121' ' ' LEU . 12.1 t-80 -136.85 154.06 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -154.2 -176.13 5.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.58 51.43 6.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.528 HD23 ' CE1' ' A' ' 118' ' ' HIS . 33.7 mt -75.41 -37.18 60.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -93.49 98.62 11.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -119.08 173.32 14.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.95 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.278 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.8 t -161.95 119.89 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 96.0 p -52.92 166.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -171.31 111.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -100.13 145.67 27.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.61 -127.47 9.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t 67.85 42.22 1.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -96.66 92.99 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 -164.93 38.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -37.1 9.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.0 mt -39.55 -50.58 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -56.12 -43.03 77.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.9 mt -48.84 -45.83 41.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.545 HG21 HD11 ' A' ' 42' ' ' LEU . 32.5 mt -76.96 129.19 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.8 p -129.74 132.29 46.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.5 p -34.26 132.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.64 -27.01 20.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.52 ' O ' HG23 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -52.76 130.47 32.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -85.65 129.97 34.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 110' ' ' LEU . 8.0 mm -136.63 163.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.1 mm-40 -102.78 158.62 16.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 31.2 tp -143.17 155.26 44.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 26.3 tt0 -114.3 137.98 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 3.0 t70 -40.6 128.58 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.9 p -43.77 -22.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 22' ' ' ASP . 27.1 mt-30 -130.49 -62.95 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.481 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 29.2 m-20 -49.72 106.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.727 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.79 -28.72 24.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -100.55 47.68 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -157.63 127.19 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.966 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.4 m-85 -137.13 170.21 16.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 60.9 t-105 -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 HD12 HD12 ' A' ' 98' ' ' LEU . 46.6 mt -96.42 135.88 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.96 169.89 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 t -131.63 134.01 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 16' ' ' SER . 95.4 t -60.26 109.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mm -78.48 -49.02 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -151.57 146.43 25.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.8 t-20 -121.43 106.63 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.8 t -110.29 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.98 41.55 92.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 101.33 -8.96 57.36 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -86.52 95.88 9.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -92.59 122.47 35.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -94.44 90.31 6.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.0 mt -75.43 147.8 39.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -141.58 119.91 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.622 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.6 m-85 -46.69 118.44 2.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG22 ' NE1' ' A' ' 30' ' ' TRP . 10.9 m -50.42 135.54 9.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.32 -27.76 12.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.3 mt -102.69 23.95 11.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 16.8 pt-20 -52.22 -45.03 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 30.6 t70 -54.17 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.437 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 10.2 t -70.46 139.99 51.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -116.57 53.28 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -132.16 -32.73 1.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.54 ' CE2' HD13 ' A' ' 88' ' ' LEU . 44.7 m-85 -92.98 41.27 1.07 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.41 177.3 6.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.9 tp-100 -150.68 138.72 20.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.7 m95 -118.06 136.03 53.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.409 HD12 HD12 ' A' ' 44' ' ' LEU . 10.0 mt -146.41 172.73 13.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.6 t80 -111.72 121.43 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.1 p90 -37.26 -28.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.94 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 60' ' ' PHE . 10.3 mt -83.7 38.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -105.53 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -99.76 -35.04 9.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.51 -38.8 78.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 61' ' ' TYR . 18.0 mt -56.78 115.29 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.2 154.76 70.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.601 0.715 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.4 Cg_endo -69.77 144.41 53.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.07 150.04 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.36 -42.86 1.85 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.555 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.8 p-90 -52.74 -44.13 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.766 0.317 . . . . 0.0 110.937 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.498 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 2.9 t -82.12 43.58 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -97.69 -36.94 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -56.79 -179.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -101.09 34.68 2.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -98.92 -59.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -91.82 155.66 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 mtm-85 -91.98 123.37 35.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.0 ttm -97.32 37.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.67 142.42 24.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.78 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 156.51 63.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.22 . . . . 0.0 112.377 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.4 p -76.5 4.17 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.7 pt-20 -85.72 -21.46 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.949 HD12 ' CH2' ' A' ' 94' ' ' TRP . 46.3 pt -116.76 -26.62 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.178 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.677 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 2.1 t80 -46.5 -50.08 42.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.673 0.749 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 11.01 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.374 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 55' ' ' TYR . 54.4 mt -107.27 -31.44 8.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.1 mtpp -130.45 159.23 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.432 ' O ' ' N ' ' A' ' 93' ' ' GLU . 12.2 mtp -70.8 134.91 47.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.16 -31.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 81.7 p -69.01 -46.45 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 27.2 mt-10 -51.24 -48.93 61.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.949 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.0 m95 -61.45 -36.78 81.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -74.46 -30.64 61.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 46.0 t -67.45 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 t -58.57 -23.97 59.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 HD12 ' A' ' 31' ' ' ILE . 36.3 tp -69.53 -42.6 74.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.699 ' O ' HD12 ' A' ' 103' ' ' ILE . 19.5 mt-10 -72.12 -63.07 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' HA ' HD13 ' A' ' 103' ' ' ILE . 22.2 mtpt -41.51 -48.76 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -54.97 -56.54 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 99' ' ' GLU . 33.8 mt -37.0 -46.12 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -63.65 -52.49 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.84 -42.03 16.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.497 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.68 -35.26 63.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.5 -15.72 60.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.675 ' HE2' HG22 ' A' ' 103' ' ' ILE . 30.8 mttm -101.07 -25.21 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.617 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 29.8 m-85 -131.3 44.08 1.28 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.71 152.57 69.62 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 18' ' ' ILE . 16.6 mt -101.54 153.97 37.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.701 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -48.75 -33.77 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -40.91 -37.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.412 HG22 ' CB ' ' A' ' 11' ' ' LEU . 57.8 t -54.45 -51.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.458 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 2.1 m-85 -99.53 45.0 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -87.8 44.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -99.16 44.01 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -159.38 177.06 11.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.98 -57.74 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -165.88 151.44 8.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 25.6 mt -93.89 137.73 32.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 p -117.25 -36.44 3.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.0 90.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.448 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -11.98 31.82 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -112.45 157.16 21.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 36.1 t -128.9 -61.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.434 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -142.78 151.98 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -48.03 128.37 13.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.93 -155.43 19.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -109.74 164.8 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -142.54 141.6 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.79 -115.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 54.4 Cg_endo -69.71 -39.46 6.58 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.712 2.274 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.491 HG23 HD21 ' A' ' 37' ' ' ASN . 80.8 mt -37.19 -47.73 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -59.85 -42.26 93.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' PRO . 69.7 mt -52.47 -41.03 62.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mt -80.43 151.46 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -146.78 138.23 24.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 14' ' ' VAL . 7.4 p -42.93 121.33 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.64 -25.43 8.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 m -58.19 140.04 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD23 HG21 ' A' ' 69' ' ' VAL . 8.0 tp -91.72 138.05 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.419 HG13 ' C ' ' A' ' 17' ' ' LEU . 54.9 mt -146.69 151.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' OE2' ' HE1' ' A' ' 79' ' ' MET . 10.1 mm-40 -87.48 170.27 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD11 ' HD2' ' A' ' 65' ' ' ARG . 51.2 tp -151.91 143.66 23.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.532 ' HG3' ' CE2' ' A' ' 29' ' ' TYR . 40.2 tt0 -104.68 149.05 25.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.7 175.88 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.3 p -99.57 -21.26 15.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -124.53 -31.8 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.41 86.37 12.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.519 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . 52.9 Cg_endo -69.77 -3.58 12.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -88.38 5.37 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 40.1 tt0 -140.66 113.97 8.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 21' ' ' GLN . 2.5 m-85 -113.87 165.06 12.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -136.48 162.5 32.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.486 HG21 HD21 ' A' ' 17' ' ' LEU . 45.8 mt -99.19 133.82 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.649 HG12 ' HA ' ' A' ' 46' ' ' TYR . 5.7 m -133.23 164.0 36.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.7 t -125.54 129.85 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.7 t -54.95 118.58 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 45' ' ' ARG . 46.4 mm -88.07 -45.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -154.4 150.72 28.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 HD21 HG23 ' A' ' 9' ' ' ILE . 40.1 t-20 -125.92 116.36 21.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.54 91.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.79 38.9 65.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.541 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 104.15 -7.26 47.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -87.74 91.22 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -90.21 110.71 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 36.1 ttt180 -82.63 99.27 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.822 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.93 151.7 24.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 58.2 ttp180 -147.32 108.68 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.7 m-85 -36.32 125.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -54.58 140.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.76 -27.15 21.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.7 mt -103.36 31.73 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.908 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.461 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 5.2 mp0 -59.61 -47.9 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' CG ' ' N ' ' A' ' 52' ' ' THR . 3.1 p-10 -52.15 -52.71 50.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.838 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.446 ' N ' ' CG ' ' A' ' 51' ' ' ASP . 14.9 t -83.03 149.49 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -130.11 40.8 3.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -107.45 -42.37 4.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 10.0 m-85 -88.37 41.51 1.01 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.93 172.34 9.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -156.35 130.5 8.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.1 m95 -100.82 138.97 37.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.891 HD21 ' NH2' ' A' ' 65' ' ' ARG . 12.5 mt -148.98 161.91 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.698 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.9 t80 -102.75 138.52 39.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.698 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 32.1 p90 -45.79 -37.03 5.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.0 mt -53.87 -37.2 63.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.713 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -34.62 139.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -86.11 -6.16 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.891 ' NH2' HD21 ' A' ' 59' ' ' LEU . 22.1 ptt180 -96.81 36.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.2 mt -127.43 84.71 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.0 mmp_? -104.89 156.3 36.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.7 Cg_endo -69.78 145.24 56.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.34 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 HD23 ' A' ' 17' ' ' LEU . 55.5 t -60.77 141.25 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.22 -45.74 1.19 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -54.55 -42.65 71.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 6.5 t -86.89 -30.53 21.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.7 tt0 -36.43 -55.03 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.18 167.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -83.91 49.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -72.1 -69.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -113.82 -70.39 0.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 ttm-85 -170.1 146.84 3.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' OE2' ' A' ' 19' ' ' GLU . 4.0 tpt -124.07 39.35 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.2 m-20 -106.14 142.17 24.29 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.587 0.708 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 28' ' ' GLN . 53.7 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.98 68.98 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.72 2.28 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.456 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 54.4 p -71.1 -2.65 16.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -74.67 -29.06 61.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.998 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.9 pt -115.29 -23.79 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.672 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.8 t80 -46.53 -49.86 43.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.651 0.739 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.75 11.04 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.69 2.26 . . . . 0.0 112.322 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 59.4 mt -106.63 -29.05 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.581 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 33.3 mtpt -133.63 164.36 27.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 94.1 mtp -71.42 151.3 44.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.87 -29.63 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.105 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -77.74 -30.3 51.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -62.96 -47.32 83.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.998 ' CH2' HD12 ' A' ' 85' ' ' ILE . 82.0 m95 -64.4 -32.79 74.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -74.09 -34.74 64.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.38 -63.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.3 t -58.64 -23.34 58.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 52.5 tp -65.89 -46.97 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.672 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.8 mt-10 -58.41 -69.55 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -36.14 -51.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.0 m -49.91 -53.55 25.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.672 HD12 ' HA ' ' A' ' 99' ' ' GLU . 24.4 mt -45.04 -45.89 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.7 mp -63.93 -39.13 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -61.14 -27.01 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.76 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.83 -7.62 56.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.785 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.8 mtmt -101.65 -33.15 10.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 87.7 m-85 -128.42 44.08 1.25 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.4 Cg_endo -69.68 131.21 20.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.702 2.268 . . . . 0.0 112.377 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 29.1 mt -87.07 157.15 54.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.59 30.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 14.6 mmt -47.9 -30.0 3.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -43.18 -43.25 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 52.8 t -50.88 -55.34 7.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.432 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 3.8 m-85 -94.02 41.73 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.29 101.54 10.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -127.79 -60.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -76.78 171.6 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 120' ' ' ASP . . . -115.38 -47.93 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' ALA . 25.2 m-20 -171.05 128.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 81.2 mt -109.51 170.84 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.9 p -107.7 154.84 20.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.4 -151.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 177.15 5.87 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.253 . . . . 0.0 112.365 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.3 m -115.95 133.64 55.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 40.3 t -38.53 -49.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 -179.942 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -168.23 138.79 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 p -77.68 -16.86 58.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.99 43.8 25.85 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -139.47 175.94 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 t -72.56 151.18 42.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.09 155.14 7.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 53.7 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -39.6 -45.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.13 -41.28 94.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' CB ' HG22 ' A' ' 114' ' ' VAL . 86.9 mt -48.33 -45.17 34.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.6 mt -77.26 142.22 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.8 p -134.3 136.88 43.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 35' ' ' ILE . 4.2 p -41.22 123.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.5 -27.12 9.61 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.534 ' CB ' HD11 ' A' ' 110' ' ' LEU . 0.8 OUTLIER -52.57 132.67 35.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.741 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.7 tp -84.92 130.76 34.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.741 HD13 ' O ' ' A' ' 17' ' ' LEU . 2.3 mm -139.38 153.21 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 69' ' ' VAL . 5.1 mm-40 -89.86 157.41 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 ' NE2' ' A' ' 57' ' ' GLN . 41.7 tp -142.81 152.89 42.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -103.41 135.08 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.449 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -54.01 -179.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.3 m -108.84 -4.74 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -125.57 -33.85 2.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.6 OUTLIER -117.54 101.87 52.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.7 Cg_endo -69.77 -17.1 37.72 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.642 2.228 . . . . 0.0 112.378 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -85.25 -37.8 19.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 81' ' ' PRO . 38.1 tt0 -87.09 120.9 28.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -114.37 175.92 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 63.6 t-105 -146.19 167.95 22.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 HD12 HD12 ' A' ' 98' ' ' LEU . 88.1 mt -107.07 132.27 54.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' HA ' ' A' ' 46' ' ' TYR . 3.4 m -131.66 168.47 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.1 t -128.79 131.2 47.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 16' ' ' SER . 86.4 t -56.98 108.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 14' ' ' VAL . 45.0 mm -74.92 -49.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -152.05 153.46 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HD11 ' A' ' 42' ' ' LEU . 6.9 t-20 -124.2 109.78 13.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.95 82.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.73 53.13 48.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.57 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 91.6 -4.92 79.94 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -91.99 90.04 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.851 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD11 HD22 ' A' ' 37' ' ' ASN . 2.2 mm? -85.46 108.35 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 64.6 ttt180 -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.791 HD11 HD21 ' A' ' 66' ' ' LEU . 4.2 mt -81.15 159.43 24.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.518 ' NH2' HD12 ' A' ' 35' ' ' ILE . 48.7 ttp180 -157.27 112.46 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.602 ' HA ' HG12 ' A' ' 32' ' ' VAL . 9.2 m-85 -35.41 117.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.973 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 31' ' ' ILE . 18.1 m -48.92 133.51 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.57 -25.98 17.72 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 HG21 ' A' ' 85' ' ' ILE . 26.3 mt -105.53 28.4 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 12.4 pt-20 -61.2 -46.97 88.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.8 t70 -51.36 -46.94 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -89.35 134.41 34.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -108.77 43.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 m -115.61 -32.58 5.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 88' ' ' LEU . 10.5 m-85 -98.97 41.07 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.965 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -102.02 174.28 6.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.611 ' NE2' HD21 ' A' ' 20' ' ' LEU . 4.0 pt20 -155.07 162.87 40.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.406 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.6 m95 -126.53 138.22 53.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.71 HD22 ' OD2' ' A' ' 63' ' ' ASP . 9.8 mt -150.37 165.08 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.57 ' CZ ' ' HA3' ' A' ' 40' ' ' GLY . 4.0 t80 -107.6 142.17 37.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 21.6 p90 -52.0 -16.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 60' ' ' PHE . 22.5 mt -72.2 -31.92 66.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.71 ' OD2' HD22 ' A' ' 59' ' ' LEU . 13.4 t0 -41.41 162.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -101.84 -25.17 13.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.487 HH21 HD21 ' A' ' 59' ' ' LEU . 14.3 ptt180 -81.15 10.49 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.791 HD21 HD11 ' A' ' 44' ' ' LEU . 29.0 mt -102.8 73.62 1.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.33 160.91 27.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.64 65.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 19' ' ' GLU . 59.2 t -80.71 138.89 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.25 -43.21 1.47 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.414 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 1.7 p-90 -55.58 -39.55 70.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.764 0.316 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.452 ' HB3' ' HE1' ' A' ' 79' ' ' MET . 1.8 t -84.45 38.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -95.69 -58.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.975 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 166.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -81.14 47.74 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -98.71 -55.35 2.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -110.7 -179.0 3.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -102.46 136.8 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.452 ' HE1' ' HB3' ' A' ' 72' ' ' CYS . 16.9 tpp -113.17 80.04 1.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.03 142.22 35.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.734 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.47 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 54.2 Cg_endo -69.73 166.39 27.72 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.403 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.81 67.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.42 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 74.9 m -68.33 -2.52 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -76.35 -29.94 57.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.127 HD12 ' CH2' ' A' ' 94' ' ' TRP . 45.0 pt -109.5 -25.52 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.673 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -44.91 -50.27 26.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.707 0.765 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.71 14.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.6 mt -109.6 -35.33 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 12.8 mtpp -125.2 167.39 14.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 82.6 mmm -77.82 147.9 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.87 -33.58 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.5 m -71.35 -38.79 71.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' CD ' ' HB2' ' A' ' 90' ' ' MET . 0.3 OUTLIER -56.04 -55.68 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.127 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.7 m95 -57.18 -40.47 77.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -63.18 -49.06 75.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.22 -47.72 81.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.8 m -61.96 -34.46 76.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -60.5 -44.43 95.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.768 ' O ' HD12 ' A' ' 103' ' ' ILE . 18.2 mt-10 -62.94 -68.64 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' GLU . 2.1 mptp? -34.61 -52.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 m -56.21 -54.1 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 99' ' ' GLU . 48.5 mt -41.53 -50.25 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.2 mp -63.97 -44.59 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.67 -33.97 24.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.647 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -63.52 -35.8 81.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.413 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -73.02 -18.27 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HE2' HG22 ' A' ' 103' ' ' ILE . 29.2 mttm -95.58 -31.51 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 32.2 m-85 -127.34 44.21 1.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.668 0.747 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 156.85 62.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 16' ' ' SER . 18.6 mt -113.13 157.19 41.56 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 140.73 43.31 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 113' ' ' GLU . 26.6 ptm -54.89 -37.7 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 49.6 mt-10 -37.42 -45.5 0.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 11' ' ' LEU . 85.6 t -47.73 -50.68 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 7.8 m-85 -101.61 55.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -77.58 93.96 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.91 170.96 5.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.462 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.9 t-80 -144.61 158.26 43.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -126.66 -56.82 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -154.57 144.02 21.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.86 102.11 13.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -48.47 -36.38 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.15 161.63 1.99 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 152.21 69.16 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.8 t -173.6 158.36 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 t -52.11 159.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -55.65 144.03 28.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.872 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -130.7 166.81 19.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.45 119.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -104.96 159.85 15.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.17 46.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.71 -147.82 4.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 61' ' ' TYR . 54.1 Cg_endo -69.74 -15.71 37.29 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.736 2.29 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CD1' ' CA ' ' A' ' 40' ' ' GLY . 7.1 mm -58.49 -47.36 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -65.87 -35.56 81.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 ' HB3' HG22 ' A' ' 114' ' ' VAL . 43.2 mt -49.54 -45.69 47.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -80.55 148.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' VAL . 69.0 p -144.38 133.59 22.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 35' ' ' ILE . 7.4 p -36.81 126.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.71 -31.03 7.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.607 ' CB ' HD11 ' A' ' 110' ' ' LEU . 21.2 m -49.42 126.64 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.908 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HB2' ' A' ' 33' ' ' SER . 8.3 tp -79.46 135.06 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 19' ' ' GLU . 8.5 mm -137.67 164.26 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' N ' HG22 ' A' ' 18' ' ' ILE . 9.2 mt-10 -104.41 158.28 16.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.8 tp -142.98 133.71 25.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.551 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 27.8 tt0 -98.92 135.77 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -59.87 103.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 22' ' ' ASP . 33.1 m -37.66 -45.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -75.45 -67.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -77.81 115.02 46.66 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -42.77 3.09 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.337 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -87.07 44.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 32.4 tt0 -150.37 131.18 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 2.1 m-85 -140.9 166.31 25.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 28.1 t-105 -145.24 168.94 19.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.469 HD12 HD12 ' A' ' 98' ' ' LEU . 55.6 mt -106.86 132.55 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.089 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.63 166.42 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.477 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.4 t -131.31 130.08 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.4 t -56.68 114.53 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.2 mm -85.2 -47.25 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -151.68 141.87 22.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 24.9 t-20 -116.98 107.43 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.57 93.34 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.36 42.2 93.54 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.471 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 96.57 -1.46 61.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -89.63 92.67 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.923 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.65 109.67 17.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 63.2 ttt180 -83.3 92.12 7.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.674 HD11 HD21 ' A' ' 66' ' ' LEU . 5.9 mt -79.54 153.92 29.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' CZ ' ' CD1' ' A' ' 35' ' ' ILE . 53.6 ttp180 -147.04 117.46 7.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.707 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.4 m-85 -46.61 115.63 1.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 m -47.27 142.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.1 -24.96 30.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.0 mt -107.26 33.75 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 45' ' ' ARG . 15.3 pt-20 -56.53 -42.04 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -56.87 -60.6 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.842 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 49' ' ' LEU . 8.1 t -83.05 131.75 35.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -100.21 -15.82 17.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -54.38 -29.39 48.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -96.95 45.92 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 164.43 12.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -142.62 147.2 35.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.439 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 19.0 m95 -114.79 141.55 47.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.9 mt -155.27 159.32 39.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.558 ' CE1' ' HA3' ' A' ' 40' ' ' GLY . 3.6 t80 -98.92 146.47 25.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 8' ' ' PRO . 1.6 p90 -55.37 -23.47 24.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 60' ' ' PHE . 25.6 mt -63.89 -43.73 95.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HD22 ' A' ' 59' ' ' LEU . 3.6 m-20 -40.56 161.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -92.48 -47.6 7.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' N ' ' CD1' ' A' ' 64' ' ' TYR . 29.6 mtm-85 -39.59 -39.16 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD21 HD11 ' A' ' 44' ' ' LEU . 8.1 mt -66.31 89.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.7 mtp85 -116.7 159.12 41.72 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.95 49.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.7 138.68 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.437 ' O ' ' CG ' ' A' ' 73' ' ' GLN . . . 124.44 -34.75 3.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.486 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.436 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 3.2 p-90 -63.63 -40.59 97.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.768 0.318 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 38.2 t -85.29 30.59 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -93.04 -32.12 14.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -58.08 -175.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -104.75 35.1 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.43 -47.76 4.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -104.57 160.83 14.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -101.46 144.73 29.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 55.6 tpp -121.56 86.18 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -136.48 137.13 23.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.71 169.9 17.76 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.7 Cg_endo -69.8 162.85 40.5 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.45 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 5.5 t -80.81 -5.87 57.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' CG ' HG23 ' A' ' 85' ' ' ILE . 5.5 pt-20 -75.2 -19.2 59.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 88' ' ' LEU . 9.1 pt -123.33 -32.92 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.662 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.7 OUTLIER -40.6 -51.38 6.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.67 0.747 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.74 -22.41 32.2 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.646 2.231 . . . . 0.0 112.343 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.9 mt -67.7 -41.59 83.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.9 mtpp -113.68 161.49 17.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 93' ' ' GLU . 1.4 mpt? -66.76 131.89 46.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -37.43 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' MET . 15.5 t -77.09 -44.04 32.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -50.59 -39.69 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.495 ' CZ2' ' HB ' ' A' ' 85' ' ' ILE . 76.4 m95 -72.11 -36.4 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -75.18 -24.66 57.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.1 t -70.01 -67.91 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.1 t -56.57 -30.67 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 31' ' ' ILE . 40.6 tp -55.32 -42.48 73.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.9 mt-10 -71.72 -63.51 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -39.31 -55.76 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 102' ' ' LEU . 86.2 p -44.15 -61.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 101' ' ' SER . 60.6 mt -34.55 -50.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.1 mp -59.86 -51.11 76.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.49 -37.82 12.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.418 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.77 -36.86 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.52 -6.67 52.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.575 ' HE2' HG22 ' A' ' 103' ' ' ILE . 43.6 mtmt -106.48 -32.99 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 74.9 m-85 -128.45 44.42 1.34 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.612 0.72 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.8 165.25 31.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.27 . . . . 0.0 112.342 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.607 HD11 ' CB ' ' A' ' 16' ' ' SER . 48.0 mt -119.45 155.42 54.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.729 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.73 149.36 66.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 113' ' ' GLU . 12.8 ptm -59.09 -42.39 90.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 112' ' ' MET . 34.1 mt-10 -34.55 -45.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' A' ' 11' ' ' LEU . 48.2 t -49.1 -50.78 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.457 ' HZ ' HD12 ' A' ' 18' ' ' ILE . 8.5 m-85 -102.66 55.19 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -74.22 91.67 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -160.85 128.31 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -164.2 143.48 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -149.15 160.28 43.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -38.88 117.45 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.0 pp -131.26 155.86 46.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 t -94.44 153.9 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 170.6 82.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.51 65.77 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.328 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.6 m -92.57 83.23 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.7 t -38.57 -44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -166.58 111.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -119.59 164.74 15.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.08 43.5 73.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -129.75 103.98 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 m -134.18 141.69 47.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.12 -157.35 21.92 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.5 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.593 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.73 -27.67 26.34 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.369 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -51.44 -44.05 31.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.23 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' CB ' HG22 ' A' ' 114' ' ' VAL . 42.2 mt -47.63 -47.36 29.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 114' ' ' VAL . 20.2 mt -78.63 140.3 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.3 p -134.46 135.64 42.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' HA ' HG12 ' A' ' 34' ' ' VAL . 6.2 p -37.46 129.19 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.22 -29.13 10.5 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' CB ' HD11 ' A' ' 110' ' ' LEU . 48.4 m -51.66 128.13 22.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.903 ' O ' HD13 ' A' ' 18' ' ' ILE . 9.5 tp -82.69 134.82 35.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.903 HD13 ' O ' ' A' ' 17' ' ' LEU . 3.8 mm -142.82 156.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -100.08 155.62 17.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -137.16 150.99 48.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -99.55 138.6 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -77.5 101.9 6.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' ASP . 12.8 p -35.51 -41.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 26' ' ' PRO . 84.8 mt-30 -74.96 -55.33 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -102.02 97.34 8.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.649 0.738 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 24' ' ' GLN . 53.5 Cg_endo -69.78 -8.28 23.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -99.38 -25.55 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 80' ' ' ASP . 30.7 tt0 -101.76 135.02 44.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 4.4 m-85 -129.7 176.87 7.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 38.3 t-105 -146.95 166.88 25.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 98' ' ' LEU . 65.4 mt -103.08 131.56 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.8 m -128.79 157.41 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 t -123.99 130.48 52.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG12 ' HA ' ' A' ' 14' ' ' VAL . 78.2 t -55.67 116.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' A' ' 45' ' ' ARG . 20.8 mm -88.6 -40.37 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -158.86 146.69 17.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -127.58 109.33 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.64 91.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.13 40.32 93.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 101.88 -7.19 54.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -85.11 89.8 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.1 mm? -88.02 111.37 21.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 26.5 ttt180 -87.03 92.96 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -79.01 154.49 29.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.545 ' HB3' HD11 ' A' ' 35' ' ' ILE . 35.9 ttm180 -148.88 119.82 7.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -49.21 117.96 2.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 17.9 m -49.06 132.54 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.167 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' HA3' ' NZ ' ' A' ' 89' ' ' LYS . . . 113.18 -30.52 7.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 12.2 mt -102.6 31.91 3.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.42 -41.07 72.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -55.91 -59.46 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 55' ' ' TYR . 5.6 t -84.4 133.99 34.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -97.05 -21.13 17.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -49.27 -34.32 14.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.409 ' CD2' HG21 ' A' ' 52' ' ' THR . 18.0 m-85 -90.08 42.42 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.36 157.57 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -138.23 126.15 22.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 14.9 m95 -98.39 140.16 33.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD22 ' OD2' ' A' ' 63' ' ' ASP . 11.4 mt -152.31 162.7 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.694 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.3 t80 -107.36 132.69 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.694 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 34.0 p90 -40.48 -33.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD12 ' CD2' ' A' ' 60' ' ' PHE . 23.1 mt -52.45 -46.43 66.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' OD2' HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -35.26 152.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -95.8 -40.58 9.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' ' CD1' ' A' ' 59' ' ' LEU . 16.4 ptp180 -37.71 -28.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 64' ' ' TYR . 31.6 mt -57.38 154.69 10.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HG2' ' CD2' ' A' ' 71' ' ' TRP . 3.8 tpp85 -170.1 133.71 1.1 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.1 Cg_endo -69.78 145.27 56.51 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.52 130.85 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HG3' ' A' ' 73' ' ' GLN . . . 132.28 -25.96 3.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.51 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 67' ' ' ARG . 1.1 p-90 -82.31 -42.99 18.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 7.0 t -91.71 42.2 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' HG3' ' CA ' ' A' ' 70' ' ' GLY . 5.5 mt-30 -119.77 -41.64 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -46.2 171.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -85.62 42.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.36 -59.18 2.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -91.04 -178.87 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.8 tpp85 -120.62 139.05 53.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.408 ' HE3' ' O ' ' A' ' 72' ' ' CYS . 14.5 ttm -111.01 92.37 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.435 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 1.8 t70 -145.11 141.04 16.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.611 0.72 . . . . 0.0 110.821 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.79 164.68 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 151.32 68.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.617 2.212 . . . . 0.0 112.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 24.6 p -70.77 -0.18 8.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -77.92 -23.7 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.806 HD12 ' CH2' ' A' ' 94' ' ' TRP . 36.7 pt -118.61 -27.43 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.679 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -47.11 -50.03 48.4 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.679 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.75 10.16 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 59.3 mt -105.59 -34.38 7.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.586 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 24.2 mtpt -126.93 166.63 17.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 29.9 mmt -71.28 141.02 50.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -46.67 -32.69 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m -71.89 -38.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.05 -50.69 66.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.806 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.8 m95 -61.65 -35.4 77.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -69.6 -39.42 77.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 43.5 t -59.93 -62.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.6 t -60.01 -29.24 68.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.726 HD12 HD12 ' A' ' 31' ' ' ILE . 60.7 tp -63.51 -47.73 80.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.703 ' HA ' HD12 ' A' ' 102' ' ' LEU . 18.6 mt-10 -61.37 -67.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -39.83 -47.01 2.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 55.6 m -56.1 -53.62 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 99' ' ' GLU . 35.9 mt -38.9 -47.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -62.85 -51.62 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.95 -38.67 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.523 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.0 -37.94 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.445 ' NZ ' HG22 ' A' ' 103' ' ' ILE . 17.4 mtmm -103.78 -28.33 11.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.599 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 64.1 m-85 -131.61 44.21 1.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.73 157.56 60.01 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD12 HD11 ' A' ' 18' ' ' ILE . 58.6 mt -116.57 154.09 49.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 162.51 41.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.646 2.23 . . . . 0.0 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -26.11 62.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -47.11 -42.01 18.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 12' ' ' ILE . 53.3 t -56.53 -46.74 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.493 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.5 m-85 -107.36 55.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -77.79 114.46 16.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -174.46 164.59 3.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.519 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 11.7 t-80 -154.32 162.45 41.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.519 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -148.68 157.19 43.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.45 101.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.4 pp -124.15 149.59 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.7 p -51.16 -41.1 59.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 137.35 171.22 12.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -21.17 34.08 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.2 m -134.82 157.03 47.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.5 t -102.26 133.27 47.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 m -87.72 156.88 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 m -71.51 -48.98 45.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.18 88.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -128.25 112.46 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -85.3 129.03 34.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.42 -170.6 21.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -36.17 11.32 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.8 mt -40.81 -48.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -61.26 -41.23 96.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -53.18 -42.52 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.2 mt -79.11 142.16 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 70.9 p -137.42 133.83 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.4 p -37.65 128.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.63 -27.61 13.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.523 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.5 m -51.34 126.37 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.845 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.769 HD12 ' HB2' ' A' ' 33' ' ' SER . 6.3 tp -85.59 132.11 34.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 19' ' ' GLU . 49.0 mt -146.63 156.71 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' N ' HG22 ' A' ' 18' ' ' ILE . 26.1 mt-10 -94.54 152.28 18.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD22 HD13 ' A' ' 44' ' ' LEU . 16.7 tp -131.02 161.73 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -103.36 134.34 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' CB ' ' OD1' ' A' ' 25' ' ' ASN . 2.2 t70 -56.48 179.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -108.3 -14.2 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -37.04 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -108.79 96.62 20.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.527 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 54.0 Cg_endo -69.8 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 26' ' ' PRO . 18.3 m-85 -103.83 -25.45 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -98.58 123.64 42.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -118.07 176.74 5.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.9 t-105 -145.91 169.22 19.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 98' ' ' LEU . 83.4 mt -104.26 128.42 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.0 m -127.3 177.28 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.769 ' HB2' HD12 ' A' ' 17' ' ' LEU . 31.3 t -144.05 127.32 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 42' ' ' LEU . 66.8 t -52.93 112.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 14' ' ' VAL . 19.5 mm -84.33 -47.94 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -148.64 141.22 24.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 34.3 t-20 -118.45 112.63 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.6 t -123.09 95.56 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.76 32.1 39.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.532 ' HA3' ' CZ ' ' A' ' 60' ' ' PHE . . . 108.41 -11.53 36.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.521 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.2 mtm-85 -81.36 81.12 7.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.599 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.5 mm? -85.06 112.12 20.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 65.6 ttt180 -83.67 97.82 9.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -82.17 142.7 31.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -132.59 141.93 48.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.684 ' HB2' HD12 ' A' ' 49' ' ' LEU . 17.2 m-85 -69.82 107.55 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HZ2' ' A' ' 30' ' ' TRP . 15.2 m -38.55 142.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.28 -25.37 28.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 46' ' ' TYR . 13.7 mt -103.01 27.31 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.82 -26.44 67.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -72.53 -50.3 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.0 t -74.15 131.98 41.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.15 43.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -152.5 -176.78 5.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CZ ' HD13 ' A' ' 88' ' ' LEU . 28.3 m-85 62.69 53.39 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.68 175.25 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -152.45 125.63 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 20.5 m95 -97.03 136.67 37.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 63' ' ' ASP . 9.6 mt -149.99 162.9 39.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.6 t80 -103.17 130.16 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.556 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 14.8 p90 -37.58 -41.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' ASP . 38.9 mt -44.91 -46.87 11.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.448 ' CG ' HD22 ' A' ' 59' ' ' LEU . 4.7 m-20 -34.38 145.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' ARG . 50.8 p90 -84.67 -46.52 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' TYR . 14.0 ptp180 -34.43 -37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 18.9 mt -53.74 102.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.485 ' CG ' ' HD2' ' A' ' 68' ' ' PRO . 8.2 ttm180 -121.39 140.73 31.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.641 0.734 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 67' ' ' ARG . 53.9 Cg_endo -69.7 143.05 49.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.4 t -58.17 136.74 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.51 -44.79 1.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.584 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 2.2 p-90 -59.36 -44.2 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.497 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 34.2 t -83.01 105.73 14.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.94 -174.57 4.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -76.86 -46.88 22.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' LYS . 4.0 t30 -102.19 -57.3 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' CD ' ' H ' ' A' ' 76' ' ' LYS . 7.9 mptt -33.98 -58.67 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 38.5 m-85 -112.66 -177.97 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -106.58 121.19 43.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 36.9 tpp -119.96 90.82 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -147.47 141.54 15.87 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.74 165.66 30.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 151.87 69.34 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -71.12 -1.84 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.509 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.2 pt-20 -76.2 -28.41 57.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.715 HD12 ' CH2' ' A' ' 94' ' ' TRP . 31.7 pt -115.67 -23.76 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.663 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.7 t80 -46.43 -50.38 40.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.887 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.79 11.27 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 55' ' ' TYR . 53.8 mt -107.94 -31.06 8.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 19.3 mtpp -124.7 162.99 23.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 93' ' ' GLU . 19.4 mmt -74.48 136.83 42.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.44 -36.11 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.1 m -71.47 -43.72 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.7 mt-10 -49.07 -52.35 26.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.715 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.3 m95 -60.1 -42.99 95.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -65.7 -28.47 69.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 t -67.15 -68.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.9 t -58.89 -25.01 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 31' ' ' ILE . 36.0 tp -59.71 -43.04 94.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.746 ' HA ' HD12 ' A' ' 102' ' ' LEU . 6.8 mt-10 -71.98 -56.75 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -40.23 -48.67 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.668 ' HB2' HD21 ' A' ' 17' ' ' LEU . 66.5 p -57.12 -53.69 55.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 99' ' ' GLU . 49.6 mt -39.37 -44.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.3 mp -69.81 -53.44 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.1 -37.7 15.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.14 -38.07 72.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.75 -10.29 59.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.49 ' HE2' HG22 ' A' ' 103' ' ' ILE . 49.2 mtmt -101.23 -29.08 12.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.613 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.9 m-85 -132.33 44.21 1.28 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.77 159.64 52.66 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 16' ' ' SER . 31.5 mt -110.17 156.95 39.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.575 0.703 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.2 Cg_endo -69.82 130.74 19.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.667 2.245 . . . . 0.0 112.304 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -45.02 -31.82 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -45.64 -41.92 10.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.547 HG12 ' CE1' ' A' ' 115' ' ' PHE . 61.0 t -48.12 -34.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.547 ' CE1' HG12 ' A' ' 114' ' ' VAL . 3.2 m-85 -118.87 52.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -63.25 106.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -166.18 153.43 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.521 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.5 t-80 -68.02 161.8 25.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -163.52 159.18 21.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -38.04 111.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.08 13.27 6.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.1 t -75.0 -40.44 60.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 68.81 146.03 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 154.03 67.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.7 t -111.26 139.02 46.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 99.5 p -79.44 114.34 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.461 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -69.9 160.56 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -94.7 91.4 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.63 -132.58 31.14 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -95.86 145.54 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -130.27 157.19 43.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.03 -96.02 2.38 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -34.13 15.34 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.6 mt -42.72 -52.46 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.74 -46.31 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.608 ' CB ' HG22 ' A' ' 114' ' ' VAL . 80.1 mt -45.65 -46.12 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.95 135.0 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 75.7 p -130.24 135.14 47.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.3 p -35.93 133.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.78 -27.91 18.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.53 ' CB ' HD11 ' A' ' 110' ' ' LEU . 44.0 m -48.23 119.33 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.572 HD21 HG21 ' A' ' 31' ' ' ILE . 9.7 tp -79.66 133.16 36.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -148.12 155.29 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -82.37 168.34 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.7 tp -156.57 148.04 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.503 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 25.7 tt0 -96.26 144.85 26.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -83.04 112.73 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 m -44.56 -46.61 10.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -73.63 -42.76 61.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -114.22 82.3 7.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.95 15.06 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -84.58 -29.11 26.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.607 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 3.7 mt-30 -111.78 174.36 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 5.5 m-85 -147.57 -175.06 4.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.51 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 64.2 t-105 -161.47 164.39 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG21 HD21 ' A' ' 17' ' ' LEU . 68.5 mt -97.59 137.15 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.84 170.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.9 t -131.68 129.73 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 16' ' ' SER . 93.4 t -56.34 112.07 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.91 -46.46 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -150.17 147.11 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.434 HD22 HD11 ' A' ' 42' ' ' LEU . 2.8 t-20 -123.11 105.35 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.1 102.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.09 31.93 41.72 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.667 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 104.61 -10.05 49.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 mtt85 -77.83 95.53 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.8 mm? -91.51 110.42 21.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 55.7 ttt180 -84.0 95.12 8.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -85.67 150.11 24.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 ttm-85 -145.27 121.38 10.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.687 ' HB2' HD12 ' A' ' 49' ' ' LEU . 11.0 m-85 -44.97 118.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.451 HG22 ' NE1' ' A' ' 30' ' ' TRP . 26.8 m -50.04 134.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.18 -28.2 11.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.687 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.8 mt -101.01 26.98 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.97 -38.22 64.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -56.18 -57.33 12.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.6 t -85.02 162.83 19.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -123.22 -28.8 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -44.94 -30.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.3 m-85 -95.82 45.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -103.73 164.95 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -148.25 129.12 14.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.464 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.7 m95 -102.86 142.0 34.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -151.03 173.1 14.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.706 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 3.8 t80 -116.58 137.48 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.706 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 29.7 p90 -41.52 -46.0 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 61' ' ' TYR . 27.1 mt -44.2 -48.36 9.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 62' ' ' LEU . 11.7 m-20 -34.78 151.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 65' ' ' ARG . 12.7 p90 -89.1 -40.52 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 64' ' ' TYR . 52.4 mtm-85 -34.13 -45.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 13.1 mt -47.01 115.38 1.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -133.83 134.27 23.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 54.0 Cg_endo -69.73 137.87 36.55 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.07 142.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.66 -34.15 3.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.701 ' CZ2' ' CE1' ' A' ' 77' ' ' TYR . 1.1 p-90 -52.52 -26.13 12.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 77' ' ' TYR . 4.3 t -72.23 -25.64 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -38.5 -26.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' CYS . 40.1 mm-40 -83.54 154.31 23.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -91.13 38.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -123.73 -12.47 7.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.701 ' CE1' ' CZ2' ' A' ' 71' ' ' TRP . 7.5 t80 -105.87 163.09 13.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.54 ' N ' ' CG ' ' A' ' 77' ' ' TYR . 22.4 ttp180 -124.6 124.83 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttm -107.65 93.2 4.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -149.49 135.47 10.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.78 162.25 42.79 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.708 2.272 . . . . 0.0 112.351 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.554 ' HD2' HD11 ' A' ' 85' ' ' ILE . 53.6 Cg_endo -69.76 149.4 66.84 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 34.1 p -63.35 -8.75 9.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.554 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.0 pt-20 -73.87 -22.6 59.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.569 ' HA ' HD12 ' A' ' 88' ' ' LEU . 15.1 pt -124.45 -33.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -39.23 -51.94 4.31 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.74 -27.85 26.04 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 88.1 mt -60.04 -41.0 91.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 22.3 mtpp -111.97 165.26 12.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 92' ' ' SER . 10.2 mmt -78.78 132.4 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.81 -33.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 90' ' ' MET . 92.0 p -66.22 -50.82 62.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 90' ' ' MET . 14.1 mt-10 -49.78 -61.08 2.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.48 ' NE1' ' HA ' ' A' ' 86' ' ' TYR . 42.2 m95 -50.01 -47.4 53.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -27.82 67.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.18 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.5 t -59.39 -24.63 63.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.08 -43.6 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.701 ' O ' HD12 ' A' ' 103' ' ' ILE . 8.7 mt-10 -70.64 -63.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.487 ' HA ' HD13 ' A' ' 103' ' ' ILE . 36.5 mttt -44.62 -45.75 9.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 m -54.31 -53.2 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 99' ' ' GLU . 36.5 mt -42.72 -57.21 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.768 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.4 mp -50.69 -53.17 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -36.46 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.566 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -59.79 -37.34 78.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.68 -14.83 60.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' CE ' HG22 ' A' ' 103' ' ' ILE . 29.1 mttt -98.38 -26.06 14.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.61 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 47.0 m-85 -134.66 44.13 1.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.621 0.724 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.8 172.69 12.22 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD11 ' CB ' ' A' ' 16' ' ' SER . 39.2 mt -123.77 154.34 67.11 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.595 0.712 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.6 Cg_endo -69.78 121.52 8.21 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 111' ' ' PRO . 49.6 mmm -36.45 -35.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 112' ' ' MET . 71.0 mt-10 -37.26 -48.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.608 HG22 ' CB ' ' A' ' 11' ' ' LEU . 59.4 t -48.56 -52.33 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 7.4 m-85 -94.29 43.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -73.32 96.21 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.85 133.39 18.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -66.84 154.13 41.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -159.36 170.42 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.49 99.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 121' ' ' LEU . 3.6 pp -116.7 41.56 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 m -84.67 133.98 34.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 163.82 -168.01 38.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.7 Cg_endo -69.76 2.53 3.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.382 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 124' ' ' PRO . 7.5 m -36.05 137.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.9 m 58.31 43.76 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.839 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -99.27 89.34 4.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -151.78 161.26 42.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.37 123.58 7.75 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -94.97 -55.36 3.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.804 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -46.12 -44.95 16.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.82 -151.09 21.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 61' ' ' TYR . 53.5 Cg_endo -69.75 -36.95 9.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.68 2.253 . . . . 0.0 112.315 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 ' CG1' ' CE2' ' A' ' 61' ' ' TYR . 55.0 mt -43.6 -45.87 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -62.23 -40.14 95.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' CB ' HG22 ' A' ' 114' ' ' VAL . 47.7 mt -51.48 -43.3 62.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -78.04 141.62 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -134.38 140.91 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -41.14 131.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.91 -32.0 8.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -43.27 134.0 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.7 tp -93.31 134.42 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 17' ' ' LEU . 27.0 mt -145.52 155.61 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.746 ' OE1' HG22 ' A' ' 69' ' ' VAL . 13.4 mp0 -93.28 157.61 16.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 tp -134.57 152.54 51.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 22.5 tt0 -92.26 140.23 29.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -81.1 136.14 35.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.4 p -67.13 -31.42 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -80.48 -51.45 8.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -114.53 117.43 42.73 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.73 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -67.46 -23.43 65.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 7.5 tt0 -84.58 153.25 23.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 23.5 m-85 -149.85 174.11 13.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 43.2 t-105 -146.48 168.65 20.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 74.2 mt -106.11 134.98 46.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.6 m -135.12 164.46 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 t -128.52 130.38 47.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.97 114.36 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 45' ' ' ARG . 12.3 mm -83.47 -46.6 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.36 143.08 23.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 8.2 t-20 -116.53 104.75 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.5 t -108.03 89.96 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.65 41.77 83.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.701 ' O ' HD22 ' A' ' 42' ' ' LEU . . . 102.73 -13.19 56.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.494 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -82.54 97.69 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.4 mm? -89.73 112.95 24.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 42.0 ttt180 -83.78 93.77 8.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.5 mt -80.52 149.93 29.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB3' HD11 ' A' ' 35' ' ' ILE . 30.6 ttm180 -143.72 106.08 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.513 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.1 m-85 -34.73 113.25 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.82 136.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.15 -27.19 12.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.898 HD13 ' CB ' ' A' ' 55' ' ' TYR . 12.7 mt -102.04 28.63 5.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.12 -31.99 69.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.25 -41.02 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -85.58 135.28 33.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -82.29 45.13 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 3.5 t -153.27 178.54 9.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.898 ' CB ' HD13 ' A' ' 49' ' ' LEU . 15.0 m-85 66.0 50.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -124.02 151.55 43.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -134.26 141.85 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 16.6 m95 -106.14 141.43 37.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.858 HD22 ' OD2' ' A' ' 63' ' ' ASP . 12.4 mt -152.97 158.96 42.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.777 ' CE2' ' CE2' ' A' ' 61' ' ' TYR . 4.0 t80 -101.57 144.91 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.777 ' CE2' ' CE2' ' A' ' 60' ' ' PHE . 43.5 p90 -50.59 -32.49 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 63' ' ' ASP . 43.8 mt -57.87 -34.71 70.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.967 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.858 ' OD2' HD22 ' A' ' 59' ' ' LEU . 2.4 m-20 -36.87 155.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -97.05 -20.59 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.609 HH21 HD21 ' A' ' 59' ' ' LEU . 0.0 OUTLIER -85.15 36.95 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.492 HD12 ' HB2' ' A' ' 63' ' ' ASP . 58.0 mt -129.48 92.35 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -115.98 158.8 41.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.664 0.745 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD3' ' CD2' ' A' ' 115' ' ' PHE . 53.5 Cg_endo -69.74 147.57 63.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.299 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.746 HG22 ' OE1' ' A' ' 19' ' ' GLU . 57.4 t -63.16 134.64 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.09 -36.74 2.99 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.454 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.482 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.2 p-90 -58.39 -39.94 81.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.482 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 42.5 t -90.01 29.91 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -91.27 -37.35 13.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -54.98 -176.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.82 -34.52 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.25 -55.22 11.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -89.4 156.13 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -120.2 151.16 39.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.9 ttm -116.8 99.96 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -150.49 136.48 10.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.69 169.56 18.54 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.374 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.46 65.32 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.1 p -63.91 -10.26 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -72.65 -25.49 61.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.033 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.2 pt -120.66 -35.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.629 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.67 -52.52 2.64 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.692 0.758 . . . . 0.0 110.946 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.84 -28.84 24.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 85' ' ' ILE . 87.1 mt -59.12 -37.63 77.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 94' ' ' TRP . 17.6 mtpp -116.4 159.02 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 93' ' ' GLU . 16.0 mmm -72.11 132.91 44.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.99 -36.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 90' ' ' MET . 66.8 m -67.06 -47.5 71.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.835 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' MET . 0.2 OUTLIER -48.72 -61.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.033 ' CH2' HD12 ' A' ' 85' ' ' ILE . 58.4 m95 -50.34 -43.77 54.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 98' ' ' LEU . 10.3 tptp -61.02 -40.07 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.0 t -57.72 -62.3 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.6 t -63.97 -25.56 68.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 95' ' ' LYS . 21.0 tp -64.94 -39.72 93.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 102' ' ' LEU . 17.0 mt-10 -71.9 -61.93 1.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HA ' HD13 ' A' ' 103' ' ' ILE . 24.4 mtpt -44.96 -51.27 9.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -46.92 -55.71 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 99' ' ' GLU . 16.3 mt -42.29 -48.15 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.656 HG22 ' HE2' ' A' ' 107' ' ' LYS . 4.8 mp -59.85 -52.25 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -46.67 -40.25 12.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.496 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.84 -35.81 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.56 58.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.656 ' HE2' HG22 ' A' ' 103' ' ' ILE . 40.1 mtmt -105.12 -26.27 12.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.607 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 82.4 m-85 -133.99 44.17 1.17 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.7 Cg_endo -69.75 167.05 25.55 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.641 2.227 . . . . 0.0 112.34 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.6 mt -122.07 158.14 56.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 164.44 34.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -24.36 60.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -47.63 -46.21 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.582 HG22 ' CB ' ' A' ' 11' ' ' LEU . 38.4 t -52.82 -47.02 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.407 ' CD2' ' HD3' ' A' ' 68' ' ' PRO . 4.3 m-85 -103.43 53.0 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -88.0 92.63 9.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -139.9 123.63 17.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -173.5 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -151.2 173.43 14.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -41.34 115.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 121' ' ' LEU . 4.3 pp -128.53 139.49 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -150.34 154.75 38.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 175.09 142.01 3.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 156.87 62.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.6 p -113.28 160.51 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.4 t -93.23 130.59 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -155.57 137.33 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -133.92 124.77 26.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 -62.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -88.99 95.3 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.8 m -60.28 100.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.83 -157.73 14.37 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.79 -35.31 12.81 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 67.0 mt -42.02 -49.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -59.93 -40.29 88.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 8' ' ' PRO . 79.8 mt -52.57 -43.09 65.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 39.1 mt -79.43 136.35 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.1 p -130.8 142.41 50.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -42.35 128.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.71 -33.35 5.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 34' ' ' VAL . 58.1 m -44.51 131.31 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -87.5 136.83 32.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 32' ' ' VAL . 38.8 mt -147.94 150.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' CD ' ' CE ' ' A' ' 79' ' ' MET . 24.9 mt-10 -88.57 161.81 16.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.4 tp -145.39 140.94 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 29.2 tt0 -79.15 136.61 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' OD2' ' NE2' ' A' ' 28' ' ' GLN . 2.1 t70 -41.55 146.27 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -49.27 -32.75 11.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -134.19 -48.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 15.5 m120 -57.08 109.16 1.53 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.666 0.746 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.98 4.65 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.313 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -88.5 41.29 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' NE2' ' OD2' ' A' ' 22' ' ' ASP . 35.5 tt0 -154.28 138.82 16.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 7.9 m-85 -142.47 164.73 29.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 53.3 t-105 -139.33 162.25 35.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 HG21 ' HB3' ' A' ' 101' ' ' SER . 75.1 mt -96.55 131.24 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 18' ' ' ILE . 19.3 m -132.12 168.31 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.7 t -130.71 130.99 44.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 16' ' ' SER . 58.3 t -56.35 117.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.3 mm -87.07 -46.3 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -151.41 146.63 26.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.694 HD22 HD11 ' A' ' 42' ' ' LEU . 4.1 t-20 -121.17 112.03 18.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.6 t -118.72 101.55 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.7 31.07 15.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.531 ' O ' ' CD1' ' A' ' 60' ' ' PHE . . . 107.47 -4.12 34.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -89.27 91.93 8.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 37' ' ' ASN . 2.4 mm? -87.54 117.64 26.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -89.22 94.68 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD22 HG23 ' A' ' 32' ' ' VAL . 5.3 mt -79.8 155.1 28.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -147.32 119.75 8.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.861 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.0 m-85 -44.99 126.05 5.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ILE . 29.6 m -57.56 141.56 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.06 -28.99 13.49 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 46' ' ' TYR . 4.4 mt -100.21 28.99 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.4 pt-20 -58.04 -41.8 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 9.1 t70 -54.69 -57.65 10.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 9.6 t -72.87 149.29 43.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -125.63 48.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.2 t -128.98 -37.62 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CE2' HD13 ' A' ' 88' ' ' LEU . 27.6 m-85 -84.01 43.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.89 167.12 9.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -144.64 175.6 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -136.43 142.8 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.828 HD21 HH11 ' A' ' 65' ' ' ARG . 9.0 mt -149.44 170.7 17.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 1.7 t80 -117.62 129.93 56.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.592 ' HA ' HD13 ' A' ' 66' ' ' LEU . 43.8 p90 -36.64 -35.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 26.2 mt -63.79 -48.66 76.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 62' ' ' LEU . 19.1 m-20 -33.9 141.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 8.6 p90 -74.03 -42.73 59.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.828 HH11 HD21 ' A' ' 59' ' ' LEU . 36.0 mtt180 -33.86 -43.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.592 HD13 ' HA ' ' A' ' 61' ' ' TYR . 11.2 mt -57.83 118.73 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.13 148.25 59.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.68 55.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.4 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 ' HG3' ' A' ' 19' ' ' GLU . 86.1 t -71.96 144.22 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.37 -44.2 1.54 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.6 p-90 -54.61 -42.47 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 10.2 t -58.88 -46.4 87.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' CYS . 2.5 tp-100 -34.57 -47.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -51.53 157.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -75.04 62.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -125.25 -51.36 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -126.75 164.95 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -101.93 138.24 39.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.518 ' CE ' ' CD ' ' A' ' 19' ' ' GLU . 10.2 ttm -101.81 84.36 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.8 140.51 33.81 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.568 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.5 Cg_endo -69.69 163.24 38.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.11 58.96 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 36.8 p -59.92 -11.22 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.823 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.557 ' CG ' HG23 ' A' ' 85' ' ' ILE . 6.0 pt-20 -73.28 -24.37 60.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.109 HD12 ' CH2' ' A' ' 94' ' ' TRP . 21.5 pt -120.2 -35.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.639 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -37.8 -52.39 2.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.668 0.746 . . . . 0.0 110.912 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.1 Cg_endo -69.76 -31.76 19.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.37 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD13 ' CE2' ' A' ' 55' ' ' TYR . 43.7 mt -55.72 -44.08 77.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.518 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 27.7 mtpp -111.84 160.68 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 93' ' ' GLU . 20.6 mtp -72.74 138.46 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.67 -39.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.7 m -63.57 -44.42 94.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' MET . 37.5 mt-10 -57.09 -48.02 79.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.109 ' CH2' HD12 ' A' ' 85' ' ' ILE . 36.7 m95 -62.43 -38.41 89.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -72.52 -34.78 67.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -63.11 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -62.27 -24.24 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 31' ' ' ILE . 34.1 tp -64.64 -42.58 95.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mm-40 -71.84 -64.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.2 mtpt -38.16 -45.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.517 ' HB3' HG21 ' A' ' 31' ' ' ILE . 4.2 m -58.15 -50.47 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 99' ' ' GLU . 46.5 mt -46.92 -51.5 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -59.55 -48.99 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.99 -39.3 65.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.617 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.52 -41.52 61.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.72 -12.81 60.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -96.53 -28.99 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.601 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 73.0 m-85 -133.03 44.77 1.4 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.9 Cg_endo -69.75 172.99 11.62 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.679 2.253 . . . . 0.0 112.359 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.571 HD11 ' HB3' ' A' ' 16' ' ' SER . 45.3 mt -120.32 156.44 55.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.81 123.38 10.03 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 113' ' ' GLU . 10.3 ptp -37.53 -39.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.5 mt-10 -34.43 -43.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.83 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 111' ' ' PRO . 23.8 t -52.03 -51.71 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 112' ' ' MET . 2.4 m-85 -97.65 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -119.7 98.41 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.82 165.42 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -60.06 -38.37 82.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.498 ' N ' ' CD2' ' A' ' 118' ' ' HIS . . . -32.43 144.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t70 63.62 48.12 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -90.46 34.81 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.8 m -121.51 151.64 40.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 177.74 64.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 93.48 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.9 t 56.29 43.02 27.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 67.8 m -146.4 129.3 16.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -65.38 83.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.91 0.386 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -117.23 171.39 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 54.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.8 p -141.96 155.59 45.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -70.25 143.34 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.51 162.38 20.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.1 Cg_endo -69.81 -38.73 7.29 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -36.66 -57.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -55.03 -44.86 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 8' ' ' PRO . 71.0 mt -49.51 -42.96 45.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HD11 ' CG1' ' A' ' 114' ' ' VAL . 30.1 mt -77.29 134.1 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' VAL . 80.8 p -130.04 131.36 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 6.7 p -35.43 132.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.36 5.07 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.3 m -46.63 128.54 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 105' ' ' ALA . 7.1 tp -84.68 133.15 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 32' ' ' VAL . 42.2 mt -140.85 152.03 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -92.38 158.71 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 60.2 tp -140.69 164.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 59.4 tt0 -113.23 149.61 33.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -80.36 107.32 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -40.34 -38.9 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.08 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.553 ' OD1' ' CD1' ' A' ' 27' ' ' PHE . 5.7 t-20 -83.69 111.62 33.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -41.63 4.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD1' ' OD1' ' A' ' 25' ' ' ASN . 3.7 p90 -87.25 44.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 27.8 tt0 -152.96 144.3 23.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 10.6 m-85 -149.46 163.81 36.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 72.8 t-105 -143.35 167.5 22.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD11 ' CD2' ' A' ' 102' ' ' LEU . 82.4 mt -100.05 135.5 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.8 m -132.28 170.72 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 t -133.82 135.58 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.37 124.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.51 HG22 ' HG3' ' A' ' 36' ' ' GLU . 32.1 mm -96.65 -43.27 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 35' ' ' ILE . 79.8 mt-10 -154.9 138.68 16.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 38.5 t-20 -119.18 111.36 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.28 96.88 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.81 35.23 62.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.556 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 105.14 -7.79 44.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.55 91.82 7.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 40' ' ' GLY . 2.9 mm? -92.83 112.09 23.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -85.22 90.46 7.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 32' ' ' VAL . 8.2 mt -75.2 146.57 41.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.509 ' HB3' HD11 ' A' ' 35' ' ' ILE . 37.5 ttp180 -142.02 115.59 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' ' 49' ' ' LEU . 12.5 m-85 -37.57 139.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 m -74.98 138.56 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' HA3' ' HZ2' ' A' ' 89' ' ' LYS . . . 107.1 -32.91 6.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' ' 46' ' ' TYR . 29.1 mt -83.92 -10.57 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' LEU . 9.0 pt-20 -34.01 -38.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 3.5 m-20 -50.11 -51.99 38.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 54' ' ' SER . 4.9 t -84.18 151.99 24.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -95.53 45.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.467 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 t -154.03 -176.02 5.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 88' ' ' LEU . 23.4 m-85 64.84 53.33 1.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.92 -178.44 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -155.47 149.95 26.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -115.62 134.83 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.23 158.91 44.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.689 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.2 t80 -101.1 135.24 42.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.779 ' HA ' HD13 ' A' ' 66' ' ' LEU . 38.8 p90 -41.25 -45.37 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' CZ ' ' A' ' 61' ' ' TYR . 63.3 mt -46.22 -51.05 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 62' ' ' LEU . 32.2 m-20 -34.29 137.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.46 ' CG ' ' N ' ' A' ' 65' ' ' ARG . 29.4 p90 -71.9 -46.41 57.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' CG ' ' A' ' 64' ' ' TYR . 45.1 mtm-85 -35.04 -42.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD13 ' HA ' ' A' ' 61' ' ' TYR . 5.4 mt -56.17 94.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' CD ' ' HD2' ' A' ' 68' ' ' PRO . 18.5 tpt180 -111.45 135.43 21.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.709 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 67' ' ' ARG . 53.7 Cg_endo -69.74 142.06 47.02 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB1' ' A' ' 105' ' ' ALA . 97.2 t -62.22 124.99 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.74 -39.29 1.42 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.0 p-90 -46.76 -42.62 17.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 20.5 t -51.95 -43.76 63.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -35.88 153.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . 8.0 tt0 58.18 25.02 12.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.42 106.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -76.24 50.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -53.75 -177.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.5 ttm-85 -84.79 103.69 14.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.2 ttt -114.67 78.35 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -130.19 136.43 29.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.6 Cg_endo -69.78 169.94 17.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.719 2.279 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 147.24 62.49 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.471 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 47.5 p -64.18 -8.26 11.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.6 pt-20 -75.03 -28.24 60.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.941 HD12 ' CH2' ' A' ' 94' ' ' TRP . 22.5 pt -112.8 -35.46 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.643 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.6 OUTLIER -38.0 -52.22 2.98 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.677 0.751 . . . . 0.0 110.917 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.3 Cg_endo -69.8 -30.77 21.56 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.29 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 55' ' ' TYR . 48.5 mt -56.72 -39.23 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 20.5 mtpt -116.09 161.65 18.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 mtp -68.62 138.69 55.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.56 -39.63 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.7 m -71.08 -39.28 72.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -54.33 -46.26 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.941 ' CH2' HD12 ' A' ' 85' ' ' ILE . 65.6 m95 -64.7 -40.05 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -69.57 -34.75 74.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 35.1 t -63.15 -64.21 0.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.42 HG21 ' HA3' ' A' ' 48' ' ' GLY . 13.5 t -61.48 -25.24 67.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 36.4 tp -64.2 -42.45 96.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 103' ' ' ILE . 23.2 mt-10 -71.57 -65.48 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -41.6 -48.92 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.401 ' HB3' HD21 ' A' ' 17' ' ' LEU . 2.5 m -50.36 -49.95 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' ' 31' ' ' ILE . 46.2 mt -49.88 -49.25 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.632 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.0 mp -61.84 -41.86 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -57.33 -44.68 84.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -52.32 -38.45 58.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.437 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.77 -14.79 60.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.526 ' HE3' HG22 ' A' ' 103' ' ' ILE . 42.5 mttt -94.06 -33.27 13.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 42.1 m-85 -130.2 44.63 1.44 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.77 167.95 22.96 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.334 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 38.9 mt -115.94 155.12 48.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.8 Cg_endo -69.72 123.4 10.08 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' GLU . 6.5 ptt? -36.12 -42.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' MET . 40.5 mt-10 -36.06 -47.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 12' ' ' ILE . 95.6 t -36.78 -67.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 116' ' ' LYS . 10.7 m-85 -86.46 -47.18 9.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 115' ' ' PHE . 28.2 tttt -34.34 105.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -126.1 176.63 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 2.0 t-80 -60.44 162.3 6.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.534 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . 58.6 37.31 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.542 ' H ' HD13 ' A' ' 121' ' ' LEU . 13.0 t0 -129.1 4.97 5.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.732 HD22 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -99.3 -176.29 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 121' ' ' LEU . 1.9 t 34.4 42.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -100.55 -74.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.57 14.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.4 t -89.88 -59.36 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -38.57 -56.7 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p -107.2 83.36 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -97.64 121.55 39.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.6 121.13 6.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -58.38 110.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -98.26 -55.89 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 -96.88 0.11 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.2 Cg_endo -69.74 -36.62 10.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.388 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -39.68 -52.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -52.69 -40.67 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' A' ' 114' ' ' VAL . 79.6 mt -56.11 -42.3 76.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.3 mt -77.09 138.09 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.3 p -138.42 138.63 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.2 p -37.03 131.0 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.21 -35.56 4.97 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.557 ' O ' HG23 ' A' ' 34' ' ' VAL . 63.4 m -43.06 131.73 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.859 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD23 HG21 ' A' ' 69' ' ' VAL . 8.7 tp -87.91 137.12 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 19' ' ' GLU . 33.3 mt -144.4 160.1 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' OE2' HG23 ' A' ' 31' ' ' ILE . 7.9 mm-40 -95.07 162.09 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 65' ' ' ARG . 38.0 tp -143.34 159.15 42.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 29' ' ' TYR . 28.1 tt0 -109.98 133.2 53.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -64.85 125.82 26.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -56.58 -38.27 71.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -70.63 -56.82 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 8.9 t-20 -110.03 133.64 20.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.218 . . . . 0.0 112.35 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.41 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 20.9 m-85 -62.97 -37.83 88.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 42.9 tt0 -61.67 122.82 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 21' ' ' GLN . 4.6 m-85 -126.19 -174.74 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 50.3 t-105 -167.12 164.78 15.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.582 HG23 ' OE2' ' A' ' 19' ' ' GLU . 4.7 mt -106.94 129.95 59.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 ' CG2' HD22 ' A' ' 44' ' ' LEU . 3.1 m -129.46 171.54 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.5 t -133.6 131.13 39.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.1 119.47 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.171 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG22 ' HG3' ' A' ' 36' ' ' GLU . 47.8 mm -93.0 -44.77 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' HG3' HG22 ' A' ' 35' ' ' ILE . 52.9 mt-10 -153.59 137.02 15.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 33.3 t-20 -116.61 109.01 16.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 71.7 t -115.23 94.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.83 36.12 71.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.01 -5.91 50.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -87.9 100.52 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.737 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -95.28 129.17 42.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 52.1 ttt180 -100.13 89.25 3.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CG2' ' A' ' 32' ' ' VAL . 5.0 mt -75.03 139.48 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -129.97 121.26 26.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -49.25 112.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.8 m -46.08 134.83 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.83 -24.71 12.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD13 ' HB2' ' A' ' 55' ' ' TYR . 14.2 mt -103.78 25.67 9.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.77 0.319 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.62 -29.96 70.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.04 -53.1 11.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.523 HG22 ' HB3' ' A' ' 49' ' ' LEU . 4.7 t -69.59 134.74 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -86.89 49.67 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -158.98 -176.03 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 49' ' ' LEU . 15.8 m-85 62.89 48.41 4.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.28 169.25 9.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -150.88 137.98 19.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 21.8 m95 -107.77 145.56 33.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' NE ' ' A' ' 65' ' ' ARG . 10.8 mt -149.49 161.17 42.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.952 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.8 t80 -102.91 119.81 39.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.7 p90 -35.86 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -82.22 39.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.89 173.77 6.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.7 p90 -100.86 -21.25 15.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.534 ' NE ' HD21 ' A' ' 59' ' ' LEU . 11.4 ptt180 -90.23 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -127.31 111.83 14.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -137.21 155.41 75.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 143.35 50.71 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 HD23 ' A' ' 17' ' ' LEU . 48.4 t -62.01 148.57 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' CYS . . . 105.05 -49.88 0.87 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.46 ' C ' ' O ' ' A' ' 70' ' ' GLY . 2.8 p-90 -33.3 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.712 0.291 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' GLY . 1.8 t -86.64 41.84 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -88.15 -48.9 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' CB ' ' HD2' ' A' ' 76' ' ' LYS . 51.5 mm-40 -67.22 -175.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' C ' ' HE2' ' A' ' 76' ' ' LYS . 8.4 m-80 -97.87 39.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' C ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER -87.62 -56.78 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 27' ' ' PHE . 5.6 m-85 -118.21 176.28 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -121.17 129.75 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.4 ' CE ' ' HB3' ' A' ' 72' ' ' CYS . 4.2 ptm -104.84 72.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -107.58 140.73 21.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.543 0.687 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.565 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.8 165.53 30.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.611 2.208 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 151.24 69.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.482 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 71.2 p -66.62 -8.54 27.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -73.25 -29.38 62.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.99 HD12 ' CH2' ' A' ' 94' ' ' TRP . 24.2 pt -116.06 -33.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.652 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.76 -51.87 3.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.689 0.756 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.79 -31.36 20.57 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 85' ' ' ILE . 86.1 mt -54.3 -43.8 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 6.8 mtpm? -114.97 169.51 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 93' ' ' GLU . 18.3 mtt -78.83 139.77 38.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.42 -40.18 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.4 p -66.27 -38.93 88.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 90' ' ' MET . 29.0 mt-10 -61.31 -35.17 76.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.99 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.5 m95 -77.32 -34.29 55.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -73.76 -38.5 64.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.9 -59.77 4.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -60.92 -25.22 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 52.8 tp -66.91 -47.06 72.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.546 ' O ' HD12 ' A' ' 103' ' ' ILE . 11.8 mm-40 -62.26 -68.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 99' ' ' GLU . 45.3 mtpt -34.57 -38.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -66.13 -54.77 21.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 99' ' ' GLU . 39.0 mt -42.95 -45.77 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.696 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -66.22 -53.28 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -46.95 -40.07 13.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.651 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -51.98 -40.91 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.85 -10.24 59.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.696 ' HE2' HG22 ' A' ' 103' ' ' ILE . 36.0 mtmt -100.61 -29.11 12.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.604 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 83.8 m-85 -133.21 44.53 1.32 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.742 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.6 Cg_endo -69.8 171.58 14.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 16' ' ' SER . 16.2 mt -120.03 159.63 46.3 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.0 Cg_endo -69.73 124.92 11.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -41.56 -32.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -42.61 -41.48 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 11' ' ' LEU . 58.3 t -52.11 -40.68 30.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -105.43 52.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -127.12 93.38 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -146.57 166.46 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.563 ' CE1' ' H ' ' A' ' 120' ' ' ASP . 4.5 t60 -46.8 -71.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 118' ' ' HIS . . . 35.79 45.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.563 ' H ' ' CE1' ' A' ' 118' ' ' HIS . 22.2 t70 -131.29 32.63 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.746 HD13 ' H ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -85.59 174.27 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 121' ' ' LEU . 3.8 t 37.37 40.35 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -62.75 -73.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 157.96 58.63 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.0 p -165.1 174.4 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.1 p -70.36 -49.61 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.503 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 46.59 42.55 11.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 t -49.47 -60.12 3.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.43 137.14 2.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -112.65 128.85 56.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -120.33 121.57 38.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.91 166.56 13.8 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.496 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 52.9 Cg_endo -69.8 -37.82 8.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.679 2.252 . . . . 0.0 112.333 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.1 mt -39.44 -45.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.63 -44.01 97.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CB ' HG22 ' A' ' 114' ' ' VAL . 78.3 mt -44.52 -48.69 10.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.5 mt -75.77 142.71 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' VAL . 65.2 p -134.11 134.25 42.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' THR . 7.1 p -37.8 131.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.31 -33.42 6.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.476 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 110' ' ' LEU . 43.2 m -48.92 136.99 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 0.0 110.863 -179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.722 ' O ' HD13 ' A' ' 18' ' ' ILE . 7.4 tp -88.58 138.5 31.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 17' ' ' LEU . 7.6 mm -141.49 160.76 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' HG22 ' A' ' 69' ' ' VAL . 43.9 mt-10 -104.15 144.96 30.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.7 tp -126.62 147.18 49.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.541 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 8.9 tt0 -102.44 131.41 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' SER . 11.2 t0 -66.81 105.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' ASP . 78.2 p -36.0 -47.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -69.28 -51.52 36.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' HA ' ' HD2' ' A' ' 26' ' ' PRO . 9.5 t-20 -103.38 95.14 6.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.616 0.722 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.0 Cg_endo -69.81 -3.39 11.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.324 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -102.73 -26.77 13.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -100.33 136.49 40.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 1.4 m-85 -128.98 179.26 5.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.55 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 42.6 t-105 -149.28 167.41 26.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 30' ' ' TRP . 29.4 mt -103.7 135.13 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 46' ' ' TYR . 15.4 m -138.33 162.11 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' HD12 ' A' ' 17' ' ' LEU . 18.1 t -126.24 132.64 51.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 42' ' ' LEU . 95.2 t -57.38 115.39 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG21 HH21 ' A' ' 43' ' ' ARG . 43.6 mm -89.03 -44.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.21 135.07 20.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 34.0 t-20 -117.57 103.87 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -110.89 100.64 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 51.69 34.52 36.38 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.545 ' HA3' ' CE1' ' A' ' 60' ' ' PHE . . . 106.15 -6.65 40.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -86.87 93.32 9.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.8 mm? -86.42 120.95 28.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 HG21 ' A' ' 35' ' ' ILE . 24.5 ttp180 -89.99 90.98 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.651 HD11 HD21 ' A' ' 66' ' ' LEU . 11.4 mt -79.73 146.36 32.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 46.6 ttp85 -140.53 114.78 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' HB2' HD12 ' A' ' 49' ' ' LEU . 10.1 m-85 -44.11 111.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -44.61 137.41 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.15 -32.04 7.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mt -97.59 30.14 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -55.12 -48.96 72.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -46.93 -47.57 21.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.2 t -96.06 171.25 8.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -130.27 -33.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -38.46 -38.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE2' HD13 ' A' ' 88' ' ' LEU . 28.9 m-85 -86.23 44.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.89 157.86 16.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.68 143.35 47.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -117.68 141.46 48.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 44' ' ' LEU . 9.6 mt -150.89 -177.23 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 61' ' ' TYR . 3.0 t80 -130.03 129.9 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.6 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 44.9 p90 -34.82 -40.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' ASP . 45.8 mt -54.1 -48.12 71.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' PHE . 3.3 m-20 -34.81 138.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -80.42 -38.14 30.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' HD3' HD11 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -46.89 -22.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.651 HD21 HD11 ' A' ' 44' ' ' LEU . 16.8 mt -82.16 99.4 9.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -116.24 154.24 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.717 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.31 56.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 19' ' ' GLU . 69.6 t -66.51 132.27 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 133.58 -38.89 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.536 ' CZ3' ' CE2' ' A' ' 77' ' ' TYR . 1.9 p-90 -69.63 -41.71 75.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.736 0.303 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.437 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 30.2 t -65.34 -40.4 93.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' CYS . 8.9 mm-40 -36.74 -50.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLN . 0.6 OUTLIER -36.99 152.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -63.53 -31.75 73.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -46.67 -54.18 10.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.536 ' CE2' ' CZ3' ' A' ' 71' ' ' TRP . 49.6 m-85 -100.23 158.67 15.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -114.94 154.13 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' OE2' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -118.81 98.23 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.95 140.83 14.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.822 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.55 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.74 160.14 50.81 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 152.97 69.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.7 p -70.49 -0.6 8.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HG3' HG23 ' A' ' 85' ' ' ILE . 5.6 pt-20 -77.9 -31.24 51.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.725 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.2 pt -111.17 -24.71 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.674 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.9 t80 -46.46 -49.89 42.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.681 0.753 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.74 11.58 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 55' ' ' TYR . 58.5 mt -107.14 -36.89 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.519 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 23.2 mtpp -117.22 164.21 15.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' SER . 55.8 mtt -72.27 132.32 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -34.09 -33.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.0 t -77.83 -51.3 10.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 90' ' ' MET . 19.2 mt-10 -41.13 -42.13 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.725 ' CH2' HD12 ' A' ' 85' ' ' ILE . 50.2 m95 -67.63 -35.98 79.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' SER . 10.8 tppt? -73.88 -36.69 64.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 t -57.46 -59.94 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -66.18 -29.33 69.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.479 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 39.2 tp -59.8 -41.94 92.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.685 ' O ' HD12 ' A' ' 103' ' ' ILE . 7.9 mt-10 -73.14 -62.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -42.81 -46.03 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 t -56.18 -58.95 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.815 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 99' ' ' GLU . 23.1 mt -35.17 -48.07 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.3 mp -61.94 -45.28 99.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.0 OUTLIER -53.89 -36.53 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.558 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -57.29 -39.85 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.33 -10.18 59.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 103' ' ' ILE . 41.3 mtmt -100.36 -29.78 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.609 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 76.6 m-85 -132.15 44.25 1.3 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.0 Cg_endo -69.77 170.1 17.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.264 . . . . 0.0 112.314 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD11 ' A' ' 18' ' ' ILE . 36.6 mt -123.41 156.79 63.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' HG2' HG23 ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.81 161.43 45.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' GLU . 22.9 ptp -70.15 -42.12 72.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.1 mt-10 -34.65 -44.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' CB ' ' A' ' 11' ' ' LEU . 49.0 t -50.54 -47.44 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 112' ' ' MET . 6.6 m-85 -106.34 57.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -87.01 40.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -78.11 -56.43 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -101.61 177.62 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -143.18 169.67 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -47.13 144.29 2.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.65 -38.28 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.8 t -56.37 166.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -170.32 -97.85 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -23.22 30.97 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -50.55 126.11 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.6 p -132.24 115.62 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.504 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -122.5 81.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.2 p -52.31 148.25 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.67 -130.33 2.35 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -67.58 168.21 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -122.37 87.39 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.93 -165.82 11.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HA ' HD12 ' A' ' 11' ' ' LEU . 53.9 Cg_endo -69.68 -43.15 2.9 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.401 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.7 mt -39.57 -46.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.34 -41.24 96.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' CB ' HG22 ' A' ' 114' ' ' VAL . 89.8 mt -47.65 -45.03 27.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG21 HD11 ' A' ' 42' ' ' LEU . 37.7 mt -75.83 140.65 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 81.1 p -132.6 125.9 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 p -34.87 129.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.16 -36.3 4.22 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 t -44.36 151.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 0.0 110.854 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.671 HD21 HG21 ' A' ' 31' ' ' ILE . 7.7 tp -101.53 136.26 41.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 32' ' ' VAL . 49.9 mt -141.0 151.97 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.095 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -90.98 157.54 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 21' ' ' GLN . 48.0 tp -140.22 160.16 40.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.659 ' H ' HD12 ' A' ' 20' ' ' LEU . 13.2 tt0 -109.17 145.96 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.495 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -57.27 142.22 43.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -41.31 -30.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -127.68 -54.98 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 23.8 m-20 -55.04 108.49 1.18 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.455 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -50.83 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.338 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.601 ' O ' ' CD2' ' A' ' 29' ' ' TYR . 75.7 m-85 -64.87 -43.21 93.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 8.7 tt0 -59.58 129.4 41.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 27' ' ' PHE . 78.3 m-85 -132.76 175.17 9.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.487 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 58.4 t-105 -156.64 166.06 34.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 17' ' ' LEU . 53.2 mt -106.13 130.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 18' ' ' ILE . 16.6 m -129.66 166.52 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 t -128.47 131.37 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.5 t -59.55 122.84 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.7 mm -94.08 -44.27 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -149.55 148.02 28.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.497 HD22 HD11 ' A' ' 42' ' ' LEU . 5.6 t-20 -129.24 100.08 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.0 t -108.88 89.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.74 45.95 90.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 99.09 -12.46 62.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.533 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -80.81 92.53 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.2 mm? -90.84 119.87 31.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.509 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 52.0 ttt180 -95.59 89.58 5.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -78.21 151.1 33.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.4 ttp85 -140.55 122.03 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.57 ' HB2' HD12 ' A' ' 49' ' ' LEU . 18.9 m-85 -46.32 120.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -51.98 133.39 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.72 -24.9 14.13 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD12 ' HB2' ' A' ' 46' ' ' TYR . 11.0 mt -104.98 30.16 5.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.39 -46.74 83.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -51.65 -52.84 44.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 49' ' ' LEU . 14.2 t -80.77 147.32 30.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -123.83 45.36 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -122.5 -39.39 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 88' ' ' LEU . 24.9 m-85 -86.24 43.82 1.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.03 177.34 6.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.5 tp-100 -148.56 137.59 21.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.509 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 24.8 m95 -112.38 132.87 54.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.521 HD12 HD12 ' A' ' 44' ' ' LEU . 10.1 mt -140.98 175.11 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.2 t80 -116.26 120.94 40.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 27.6 p90 -36.85 -29.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.565 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -84.36 40.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.26 170.19 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE2' ' HG2' ' A' ' 65' ' ' ARG . 26.9 p90 -95.44 -39.16 10.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 64' ' ' TYR . 40.1 mtt180 -56.2 -32.87 64.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 61' ' ' TYR . 19.8 mt -55.6 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -116.92 147.87 40.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 141.98 46.51 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.0 t -78.59 118.52 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 146.59 -35.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 1.0 OUTLIER -46.83 -38.74 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.941 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 29.9 t -55.32 -38.48 68.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -47.56 -48.63 27.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -91.9 25.96 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 72' ' ' CYS . 4.4 m120 -170.81 107.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.452 ' N ' ' HE3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -75.27 48.97 0.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -68.27 -174.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -77.5 126.26 30.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 11.1 tpp -132.47 41.92 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -95.54 130.62 31.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.591 ' HG2' ' CD1' ' A' ' 86' ' ' TYR . 54.0 Cg_endo -69.77 170.29 16.93 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.397 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 143.71 51.65 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.28 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 11.0 t -66.13 -4.89 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.858 HD12 ' CH2' ' A' ' 94' ' ' TRP . 38.1 pt -122.26 -32.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.67 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -40.61 -50.91 6.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.918 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 54.2 Cg_endo -69.71 -26.9 27.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 85' ' ' ILE . 91.4 mt -61.02 -36.04 78.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.558 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 15.5 mtpp -124.09 163.24 21.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 91' ' ' ALA . 11.1 mmt -74.72 134.07 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.56 -40.06 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.6 p -58.95 -51.12 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 90' ' ' MET . 1.6 mp0 -50.42 -48.96 56.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.858 ' CH2' HD12 ' A' ' 85' ' ' ILE . 61.7 m95 -64.84 -40.99 96.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -67.62 -30.96 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.7 t -67.1 -66.49 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.5 t -57.06 -28.27 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.487 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 45.0 tp -59.23 -43.94 92.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.3 mt-10 -73.52 -65.19 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -42.61 -42.48 3.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.8 p -56.8 -42.2 79.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 99' ' ' GLU . 34.7 mt -54.82 -45.49 74.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.2 mp -67.37 -42.89 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.23 -43.53 67.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.613 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -54.21 -37.76 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' C ' ' HD3' ' A' ' 109' ' ' PRO . . . -74.75 -10.83 59.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.443 ' HE2' HG22 ' A' ' 103' ' ' ILE . 37.1 mttt -94.0 -38.78 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 45.8 m-85 -124.64 44.03 0.99 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.656 0.741 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 54.0 Cg_endo -69.76 165.88 29.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.218 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 71.2 mt -119.9 155.58 55.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 130.64 19.6 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 113' ' ' GLU . 70.1 mtp -39.06 -38.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 112' ' ' MET . 45.6 mt-10 -35.74 -45.72 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' CB ' ' A' ' 11' ' ' LEU . 60.8 t -45.95 -57.67 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -88.94 44.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -94.6 89.92 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -142.04 166.44 24.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -57.31 173.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -121.0 -47.28 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -159.92 108.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 122' ' ' SER . 3.4 pp -132.49 164.07 27.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.574 ' HB2' HD12 ' A' ' 121' ' ' LEU . 24.2 t 63.09 43.3 6.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.33 138.35 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 128.95 16.72 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 0.0 112.289 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.2 m -66.33 123.52 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.2 t -55.27 134.03 49.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 71.04 42.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -126.33 111.22 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 -147.42 4.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -50.52 122.29 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -68.75 153.43 43.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 -170.55 42.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' HD12 ' A' ' 11' ' ' LEU . 54.2 Cg_endo -69.74 -34.57 14.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.399 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.5 mt -39.73 -49.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -62.86 -41.4 99.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 8' ' ' PRO . 85.6 mt -48.27 -40.95 26.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.8 mt -81.82 131.14 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' VAL . 82.7 p -124.92 131.58 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' HA ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 p -34.65 131.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.52 -35.76 4.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -40.0 125.88 2.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.6 tp -83.24 132.6 35.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' GLU . 65.3 mt -143.83 154.63 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' ILE . 17.5 mt-10 -88.53 162.02 16.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 65' ' ' ARG . 6.6 tp -147.19 148.29 31.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 58.3 tt0 -91.21 147.75 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.5 t70 -55.43 151.07 10.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.2 p -56.13 -30.18 61.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -134.98 -46.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 49.2 m-20 -59.64 109.98 2.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 27' ' ' PHE . 53.5 Cg_endo -69.77 -45.8 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 23.7 m-85 -86.54 30.11 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 36.6 tt0 -137.58 124.76 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 21' ' ' GLN . 39.8 m-85 -129.08 173.83 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 98' ' ' LEU . 33.1 t-105 -148.73 167.07 26.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.956 HD12 HD12 ' A' ' 98' ' ' LEU . 89.3 mt -104.73 127.16 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m -130.67 168.79 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.67 ' HB2' HD12 ' A' ' 17' ' ' LEU . 16.5 t -134.92 135.77 41.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 14' ' ' VAL . 76.1 t -54.0 113.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mm -87.47 -47.51 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -150.85 141.22 22.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' C ' ' A' ' 37' ' ' ASN . 7.6 t-20 -116.95 110.52 18.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -118.37 96.31 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.02 31.88 41.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 108.76 -9.54 34.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.424 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -82.56 89.69 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.614 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.1 mm? -85.53 113.64 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.5 ttt180 -85.65 102.87 13.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 59' ' ' LEU . 3.9 mt -89.08 145.0 25.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -135.52 134.45 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.71 113.69 3.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 31' ' ' ILE . 31.7 m -43.69 139.1 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.04 -38.39 3.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 mt -91.74 25.94 2.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 12.3 pt-20 -51.74 -48.52 63.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 16.8 m-20 -51.04 -60.54 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.3 t -74.06 149.27 41.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -129.85 47.02 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.4 t -114.48 -38.46 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.503 ' CE2' ' CD1' ' A' ' 88' ' ' LEU . 20.5 m-85 -89.16 40.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.72 148.96 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' NE2' HD21 ' A' ' 20' ' ' LEU . 20.7 tt0 -133.31 131.15 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.2 m95 -103.13 147.66 26.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' LEU . 8.4 mt -149.28 171.63 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.7 t80 -109.62 125.85 53.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 30.8 p90 -42.76 -31.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.3 mt -82.66 37.91 0.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -112.06 170.3 8.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -92.22 -41.19 10.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' LEU . 45.6 mtt180 -43.14 -53.44 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 17.4 mt -49.64 118.6 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -139.57 149.48 60.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.559 0.695 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.24 50.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 83.2 t -68.01 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.33 -39.48 2.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -58.97 -28.83 66.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' GLN . 4.1 t -90.6 -38.92 12.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' CYS . 7.0 tt0 -34.45 -53.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -50.58 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -95.2 68.57 3.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -126.26 -44.35 1.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -123.03 177.1 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -103.07 123.8 47.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 24.5 tpp -101.4 85.13 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -138.74 143.98 39.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.634 0.73 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.3 Cg_endo -69.81 166.0 29.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.548 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.2 Cg_endo -69.7 156.21 64.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 31.6 p -73.95 3.19 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.816 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 85' ' ' ILE . 4.3 pt-20 -85.07 -23.57 28.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.648 HD12 ' CH2' ' A' ' 94' ' ' TRP . 16.7 pt -116.04 -27.72 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.66 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.6 t80 -44.63 -50.28 24.41 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.6 Cg_endo -69.83 14.39 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.717 2.278 . . . . 0.0 112.279 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.503 ' CD1' ' CE2' ' A' ' 55' ' ' TYR . 23.7 mt -113.23 -30.95 6.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.584 ' CD ' ' CZ2' ' A' ' 94' ' ' TRP . 2.8 mtpm? -127.33 155.46 43.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.435 ' HB2' ' CD ' ' A' ' 93' ' ' GLU . 1.5 mtt -67.54 139.63 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -41.44 -35.55 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 m -73.71 -38.55 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.804 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -53.83 -49.3 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.648 ' CH2' HD12 ' A' ' 85' ' ' ILE . 81.2 m95 -61.87 -44.21 97.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -64.33 -36.26 83.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.0 t -61.35 -66.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.2 t -63.27 -25.53 68.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.956 HD12 HD12 ' A' ' 31' ' ' ILE . 25.5 tp -66.54 -41.93 87.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.665 ' HA ' HD12 ' A' ' 102' ' ' LEU . 21.4 mt-10 -70.08 -64.14 0.95 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HA ' HD13 ' A' ' 103' ' ' ILE . 7.6 mttm -40.17 -50.31 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 102' ' ' LEU . 58.8 m -50.08 -60.33 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.675 HD21 HD11 ' A' ' 31' ' ' ILE . 19.0 mt -35.35 -53.49 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 103' ' ' ILE . 5.3 mp -54.43 -49.42 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -51.3 -36.07 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.774 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -55.31 -34.9 64.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.57 -14.27 59.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HE2' HG22 ' A' ' 103' ' ' ILE . 28.0 mttm -98.48 -28.68 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.608 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 36.6 m-85 -129.86 44.2 1.32 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.74 172.42 12.64 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.351 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD2' ' HD2' ' A' ' 111' ' ' PRO . 13.6 mt -123.0 157.76 59.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.489 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 54.3 Cg_endo -69.71 128.15 15.66 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.388 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' GLU . 8.0 mtt -43.77 -41.06 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' MET . 73.9 mt-10 -34.54 -44.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 111' ' ' PRO . 50.1 t -48.62 -57.89 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -88.9 40.19 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -83.12 94.48 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -158.56 119.68 3.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -157.27 174.62 15.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 120' ' ' ASP . . . -131.65 83.46 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 119' ' ' ALA . 13.5 t0 34.47 36.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 119' ' ' ALA . 11.9 mt -41.57 121.02 1.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.7 m -64.34 -38.34 90.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 124' ' ' PRO . . . 92.39 97.52 1.38 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 123' ' ' GLY . 54.0 Cg_endo -69.72 137.07 34.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.668 2.246 . . . . 0.0 112.407 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 t -66.36 156.51 34.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.795 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -87.96 113.63 23.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -89.19 134.21 34.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -174.05 139.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 63.47 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 m -105.05 101.74 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -48.97 152.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.44 -157.26 15.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.478 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 54.0 Cg_endo -69.76 -35.15 13.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.6 mt -43.21 -50.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.54 -45.7 81.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.0 mt -44.99 -48.46 11.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' HA ' HD21 ' A' ' 110' ' ' LEU . 24.6 mt -76.6 144.57 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.6 p -141.96 142.13 32.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.1 p -39.73 132.74 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.01 -32.21 7.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 34' ' ' VAL . 70.1 m -45.46 118.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.819 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.814 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.8 tp -75.89 136.07 40.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' O ' HG22 ' A' ' 32' ' ' VAL . 30.9 mt -146.67 142.96 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -82.17 158.03 23.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 21' ' ' GLN . 59.6 tp -139.19 163.3 32.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.473 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 15.5 tt0 -106.3 135.0 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -45.36 139.77 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' ' NE2' ' A' ' 24' ' ' GLN . 27.7 m -49.53 -30.22 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 7.6 mp0 -118.59 -58.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 28' ' ' GLN . 26.3 m-20 -60.79 110.17 2.71 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 25' ' ' ASN . 53.8 Cg_endo -69.74 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.652 2.234 . . . . 0.0 112.349 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 66.4 m-85 -64.87 -37.08 86.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 21.9 tt0 -65.0 157.92 27.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 27' ' ' PHE . 96.5 m-85 -153.84 176.08 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 57.3 t-105 -155.56 165.52 36.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 98' ' ' LEU . 58.9 mt -106.63 127.6 61.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.599 HG23 HD22 ' A' ' 44' ' ' LEU . 15.8 m -130.67 167.26 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -130.37 134.13 46.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 16' ' ' SER . 89.8 t -59.18 121.68 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 mm -96.16 -44.16 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -147.86 134.48 19.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -117.23 103.34 10.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -113.64 95.38 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.6 34.21 63.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 104.64 -7.03 45.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -83.24 83.14 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.7 mm? -80.75 114.47 19.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 69.3 ttt180 -87.91 89.78 8.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.79 HD11 HD21 ' A' ' 66' ' ' LEU . 6.3 mt -77.34 142.91 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 50' ' ' GLU . 51.2 ttp180 -131.65 118.99 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.511 ' HB2' HD12 ' A' ' 49' ' ' LEU . 14.6 m-85 -48.63 115.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -45.56 142.13 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.64 -28.05 17.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 55' ' ' TYR . 6.3 mt -106.01 33.87 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 51' ' ' ASP . 10.5 pt-20 -64.05 -43.35 95.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 50' ' ' GLU . 3.4 p-10 -55.68 -47.58 76.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -87.26 151.04 23.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -123.87 50.12 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.0 t -123.74 -38.03 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.711 ' HB2' HD13 ' A' ' 49' ' ' LEU . 11.0 m-85 -90.09 45.17 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -92.06 173.53 7.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.4 tp-100 -148.34 143.95 27.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 21.3 m95 -119.13 133.79 55.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD11 ' HD2' ' A' ' 65' ' ' ARG . 10.6 mt -143.35 159.6 42.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.908 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 3.4 t80 -100.94 124.23 46.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 31.0 p90 -40.37 -29.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 9.1 mt -82.69 37.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.8 ' HB2' HD12 ' A' ' 66' ' ' LEU . 3.4 m-20 -103.94 -179.39 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' C ' ' CD1' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -111.32 -44.8 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 59' ' ' LEU . 9.2 ptp180 -52.26 -37.82 56.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.8 HD12 ' HB2' ' A' ' 63' ' ' ASP . 9.3 mt -57.46 99.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -113.39 153.15 45.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 141.95 46.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.0 t -72.83 133.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.02 -44.7 1.19 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.449 ' CD1' ' N ' ' A' ' 72' ' ' CYS . 0.8 OUTLIER -49.53 -34.73 18.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.744 0.307 . . . . 0.0 110.916 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 71' ' ' TRP . 11.1 t -97.65 101.45 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.485 ' HB2' ' CG ' ' A' ' 76' ' ' LYS . 10.2 mp0 -75.07 -174.3 2.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 73' ' ' GLN . 7.0 tp10 -33.39 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -134.74 88.67 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -105.88 -69.79 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -103.46 -72.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ttt85 -171.97 105.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 37.9 tpp -115.19 98.36 6.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -152.68 139.03 12.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.8 Cg_endo -69.76 169.21 19.45 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.638 2.225 . . . . 0.0 112.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.49 69.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 27.5 p -72.31 1.19 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -79.43 -26.75 41.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.671 HD12 ' CH2' ' A' ' 94' ' ' TRP . 34.3 pt -116.23 -28.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.676 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 1.4 t80 -46.39 -50.25 40.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 0.0 110.919 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.7 Cg_endo -69.75 11.11 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.375 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 85' ' ' ILE . 52.0 mt -107.65 -32.74 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.59 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 20.5 mtpp -128.43 165.86 19.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.938 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 66.9 mtp -74.56 140.73 44.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.23 -38.1 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.4 m -66.59 -40.04 88.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -55.7 -44.29 77.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CH2' HD12 ' A' ' 85' ' ' ILE . 74.9 m95 -68.25 -35.44 77.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.08 -34.3 68.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.28 -57.09 14.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.7 t -66.09 -29.74 70.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 31' ' ' ILE . 23.9 tp -58.21 -37.39 74.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 103' ' ' ILE . 27.3 mt-10 -70.56 -62.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -47.08 -45.36 21.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.7 p -54.14 -44.5 71.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 99' ' ' GLU . 57.7 mt -53.28 -42.05 66.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 99' ' ' GLU . 4.7 mp -67.29 -52.39 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.67 -37.27 18.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.814 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -56.66 -41.86 77.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.56 -11.17 60.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HE2' HG22 ' A' ' 103' ' ' ILE . 31.8 mtmt -100.02 -26.77 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 70.0 m-85 -132.27 44.43 1.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.8 Cg_endo -69.76 158.54 56.6 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 12' ' ' ILE . 16.3 mt -109.68 156.09 40.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 110' ' ' LEU . 53.7 Cg_endo -69.81 123.78 10.42 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 32.7 mtt -41.43 -36.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -37.86 -43.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -50.35 -59.57 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -88.21 42.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -97.49 106.61 18.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.55 132.05 51.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.694 ' CE1' HD11 ' A' ' 121' ' ' LEU . 16.5 t60 -81.5 -55.82 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -44.28 165.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.8 t0 51.67 54.91 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.694 HD11 ' CE1' ' A' ' 118' ' ' HIS . 5.0 mp -66.41 119.2 11.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.1 m -64.25 157.05 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 87.56 84.44 1.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.26 9.89 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.4 m -61.57 140.02 58.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.6 p -159.09 145.34 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -166.01 144.89 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 p -166.1 124.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.82 118.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -76.28 134.25 39.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -139.8 122.14 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.94 -163.78 2.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 61' ' ' TYR . 53.6 Cg_endo -69.76 -37.6 8.94 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' PRO . 92.5 mt -36.43 -47.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.148 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.94 -41.81 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' PRO . 82.6 mt -50.54 -41.46 53.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.37 141.12 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.8 p -135.12 135.97 41.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.6 p -39.59 130.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.88 -30.24 9.67 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' CB ' HD11 ' A' ' 110' ' ' LEU . 68.1 m -47.55 132.27 13.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.783 HD23 HG21 ' A' ' 69' ' ' VAL . 8.4 tp -87.03 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 19' ' ' GLU . 4.1 mm -141.01 163.64 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 18' ' ' ILE . 5.7 mt-10 -103.35 153.26 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 65' ' ' ARG . 25.2 tp -135.73 156.33 49.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 28.9 tt0 -110.4 133.97 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 25' ' ' ASN . 1.6 m-20 -45.13 126.82 6.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -44.83 -21.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -126.38 -65.61 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB2' ' CB ' ' A' ' 22' ' ' ASP . 4.9 m120 -48.87 105.92 0.56 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.644 0.735 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -29.15 24.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -103.78 33.8 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 25' ' ' ASN . 19.6 tt0 -141.98 133.24 26.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 28' ' ' GLN . 2.4 m-85 -136.51 172.33 13.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.558 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 51.4 t-105 -147.64 164.95 31.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.2 mt -99.38 135.2 35.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.4 m -135.62 168.04 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.516 ' HB2' HD12 ' A' ' 17' ' ' LEU . 24.3 t -136.37 130.68 33.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 16' ' ' SER . 87.9 t -54.01 117.95 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.1 mm -91.49 -45.8 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -150.22 135.86 18.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.413 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 35.1 t-20 -115.37 105.51 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -113.0 89.48 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.83 39.97 94.52 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 100.48 -8.89 58.76 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -84.41 90.67 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.654 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.5 mm? -86.97 120.21 28.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 58' ' ' TRP . 39.0 ttt180 -93.27 89.9 6.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 59' ' ' LEU . 4.3 mt -76.18 143.83 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -136.69 116.38 13.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.432 ' HB2' HD12 ' A' ' 49' ' ' LEU . 9.3 m-85 -45.76 114.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -46.25 142.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.38 -31.21 8.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 55' ' ' TYR . 12.5 mt -98.15 30.76 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -58.04 -40.21 80.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.32 -52.86 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.4 t -85.63 134.06 34.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -111.99 48.13 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.8 t -123.33 -33.64 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 49' ' ' LEU . 20.2 m-85 -88.04 37.72 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.952 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.21 165.97 12.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -144.88 134.07 22.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HB2' ' A' ' 43' ' ' ARG . 16.3 m95 -104.31 137.07 42.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.46 HD12 HD12 ' A' ' 44' ' ' LEU . 10.8 mt -143.59 161.46 38.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.556 ' CD2' ' HB2' ' A' ' 62' ' ' LEU . 4.1 t80 -102.61 123.14 45.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 28.5 p90 -39.81 -29.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 8.8 mt -84.35 38.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -105.73 179.56 4.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -104.51 -17.22 14.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -91.98 37.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 61' ' ' TYR . 65.5 mt -126.07 112.19 15.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 71' ' ' TRP . 61.2 mtt-85 -136.78 149.01 65.59 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.43 50.5 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 HD23 ' A' ' 17' ' ' LEU . 83.6 t -71.73 131.35 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.47 -35.06 3.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 67' ' ' ARG . 2.4 p-90 -61.75 -40.16 94.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.428 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 15.0 t -83.94 33.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -70.73 -54.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -61.76 -174.81 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -83.3 36.35 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.66 ' N ' ' HZ2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -54.12 -70.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -124.66 -175.22 3.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.39 106.95 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 16.4 ttm -82.32 74.87 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -126.13 138.57 32.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD3' ' CZ3' ' A' ' 30' ' ' TRP . 53.9 Cg_endo -69.72 169.96 17.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.663 2.242 . . . . 0.0 112.399 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.555 ' HD2' HD11 ' A' ' 85' ' ' ILE . 54.1 Cg_endo -69.78 147.4 62.63 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.479 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.1 p -66.6 -4.91 9.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.39 -28.6 52.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.65 HD12 ' CH2' ' A' ' 94' ' ' TRP . 13.7 pt -110.68 -32.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.667 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.8 OUTLIER -42.3 -50.92 11.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.652 0.739 . . . . 0.0 110.939 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.9 Cg_endo -69.77 -19.35 36.19 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 55' ' ' TYR . 41.4 mt -72.47 -36.95 68.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' HD3' ' CZ2' ' A' ' 94' ' ' TRP . 23.4 mtpp -122.5 158.47 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ALA . 6.2 ptp -73.68 138.68 44.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 90' ' ' MET . . . -33.66 -50.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.2 m -49.47 -49.33 45.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 90' ' ' MET . 30.3 mt-10 -55.08 -44.43 74.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.65 ' CH2' HD12 ' A' ' 85' ' ' ILE . 62.2 m95 -72.96 -16.23 61.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -93.92 -28.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 52.3 t -75.68 -59.1 2.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.7 t -60.08 -24.67 64.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.56 -42.71 86.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 102' ' ' LEU . 12.0 mt-10 -73.33 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 99' ' ' GLU . 41.2 mttt -35.04 -55.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' ASP . 69.0 m -47.73 -59.34 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 99' ' ' GLU . 25.8 mt -35.83 -46.73 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.646 HG22 ' HE2' ' A' ' 107' ' ' LYS . 5.2 mp -63.56 -45.34 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' SER . 1.2 m-20 -54.35 -35.0 62.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.34 -37.94 76.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -76.93 -4.4 43.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.646 ' HE2' HG22 ' A' ' 103' ' ' ILE . 38.2 mtmt -107.66 -29.39 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.602 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 34.5 m-85 -131.33 44.21 1.32 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.3 Cg_endo -69.78 141.12 44.31 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CB ' ' A' ' 16' ' ' SER . 23.5 mt -96.01 152.09 38.71 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.452 ' O ' HG23 ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 140.61 43.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -23.8 19.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -50.26 -29.14 8.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 111' ' ' PRO . 40.5 t -62.89 -54.1 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -96.28 43.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -91.62 43.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -148.92 164.67 33.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -129.27 178.13 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -127.76 -46.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -173.28 127.58 0.44 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.843 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 pp -130.41 146.17 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.5 t -131.1 -37.46 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.86 -100.36 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 131.06 20.44 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 m -73.77 -51.15 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.4 m -57.04 162.79 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -133.72 109.92 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -102.15 149.05 24.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.45 -127.88 0.92 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -99.2 176.41 5.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -79.18 144.84 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.14 -177.36 37.52 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.6 16.36 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.36 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.73 -49.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.5 -42.07 86.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CB ' HG22 ' A' ' 114' ' ' VAL . 79.4 mt -50.05 -45.35 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.53 142.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' VAL . 71.3 p -138.37 133.17 32.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.0 p -34.92 133.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.22 -34.31 5.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.551 ' CB ' HD11 ' A' ' 110' ' ' LEU . 10.1 m -39.48 122.01 1.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.828 HD23 ' HB2' ' A' ' 105' ' ' ALA . 8.0 tp -80.03 133.47 36.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 19' ' ' GLU . 25.0 mt -147.73 156.84 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' N ' HG22 ' A' ' 18' ' ' ILE . 27.2 mt-10 -85.86 167.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.5 tp -153.63 149.29 27.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.438 ' CG ' ' HA ' ' A' ' 26' ' ' PRO . 14.4 tt0 -94.95 132.21 40.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.1 157.05 3.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -92.95 6.73 46.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -117.64 -38.94 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -145.42 126.97 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' O ' ' CE1' ' A' ' 29' ' ' TYR . 54.0 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -43.88 -38.41 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -95.26 154.1 17.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' CE1' ' O ' ' A' ' 26' ' ' PRO . 23.5 m-85 -144.17 -178.09 5.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.523 ' CZ3' ' HD3' ' A' ' 81' ' ' PRO . 54.7 t-105 -154.35 163.91 39.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 102' ' ' LEU . 72.9 mt -100.14 135.9 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' CG2' HD22 ' A' ' 44' ' ' LEU . 16.5 m -133.47 168.64 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 17' ' ' LEU . 29.2 t -133.42 130.11 38.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' SER . 79.0 t -53.6 116.39 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.539 HD12 ' NH2' ' A' ' 45' ' ' ARG . 32.6 mm -89.64 -46.28 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -149.74 145.7 26.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -125.44 103.33 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -111.33 91.88 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.02 38.43 75.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . 103.69 -9.71 52.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -83.17 89.39 6.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 42' ' ' LEU . 2.0 mm? -86.54 113.59 22.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD2' ' CZ2' ' A' ' 58' ' ' TRP . 78.4 ttt180 -87.83 96.59 10.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 HD22 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mt -82.52 150.57 26.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' NH2' HD12 ' A' ' 35' ' ' ILE . 49.3 ttp180 -146.7 110.31 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.543 ' HB2' HD12 ' A' ' 49' ' ' LEU . 15.1 m-85 -35.13 131.13 0.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.505 ' CG2' ' CZ2' ' A' ' 30' ' ' TRP . 16.6 m -60.89 134.11 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.141 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.53 -27.81 11.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 46' ' ' TYR . 6.7 mt -106.02 30.9 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.326 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.85 -45.4 90.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.23 -56.47 19.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.9 t -78.91 136.89 37.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -113.6 47.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 m -115.42 -39.67 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' HB2' HD13 ' A' ' 49' ' ' LEU . 14.6 m-85 -91.94 41.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -100.5 176.47 5.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.451 ' OE1' ' C ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -155.09 165.58 36.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ2' ' HD2' ' A' ' 43' ' ' ARG . 15.8 m95 -128.96 143.02 50.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 44' ' ' LEU . 11.4 mt -144.98 174.56 10.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' LEU . 3.0 t80 -118.4 122.07 41.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 29.9 p90 -36.68 -29.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' TYR . 10.4 mt -82.75 37.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -109.62 -175.15 2.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -111.16 -41.3 4.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HA ' ' NH1' ' A' ' 67' ' ' ARG . 21.0 mtt180 -45.7 -39.43 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 20.1 mt -59.34 108.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 65' ' ' ARG . 6.9 mpt_? -128.52 147.23 63.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.11 49.68 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.88 133.57 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 125.54 -33.63 3.55 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TRP . . . . . 0.484 ' CG ' ' N ' ' A' ' 72' ' ' CYS . 2.3 p-90 -66.91 -43.56 83.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.752 0.31 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 71' ' ' TRP . 39.5 t -69.01 -29.69 67.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -39.37 -54.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -63.03 -172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -75.68 48.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -84.4 -62.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -148.89 -176.29 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -91.28 132.44 36.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 13.4 tpp -102.91 84.11 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.34 140.04 20.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 86' ' ' TYR . 54.3 Cg_endo -69.71 162.76 40.8 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.391 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 148.04 64.19 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.465 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 6.7 t -62.89 -9.42 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -70.9 -23.47 62.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 HD12 ' CH2' ' A' ' 94' ' ' TRP . 28.5 pt -125.52 -32.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.181 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.64 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -38.74 -52.16 3.66 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.698 0.761 . . . . 0.0 110.953 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 86' ' ' TYR . 53.5 Cg_endo -69.78 -30.31 22.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.646 2.23 . . . . 0.0 112.356 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 85' ' ' ILE . 88.5 mt -56.51 -44.89 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 94' ' ' TRP . 21.9 mtpp -105.82 166.7 10.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.488 ' O ' ' N ' ' A' ' 93' ' ' GLU . 8.2 mmm -75.98 134.64 40.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.18 -34.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.3 m -72.63 -41.95 64.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 90' ' ' MET . 11.1 mm-40 -52.44 -59.57 4.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.742 ' CH2' HD12 ' A' ' 85' ' ' ILE . 53.7 m95 -52.14 -48.92 64.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -60.01 -35.87 75.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.64 -65.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.9 t -60.12 -24.02 64.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD13 ' CZ3' ' A' ' 30' ' ' TRP . 34.5 tp -67.63 -45.57 74.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.757 ' O ' HD12 ' A' ' 103' ' ' ILE . 32.6 mm-40 -70.26 -65.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -37.93 -47.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -59.23 -51.12 71.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' ILE . 50.8 mt -44.75 -50.53 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.757 HD12 ' O ' ' A' ' 99' ' ' GLU . 5.4 mp -60.12 -46.59 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -53.26 -39.41 63.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.828 ' HB2' HD23 ' A' ' 17' ' ' LEU . . . -53.12 -39.12 63.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.86 -7.88 57.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.713 ' HE2' HG22 ' A' ' 103' ' ' ILE . 39.6 mtmt -104.1 -28.81 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' N ' ' CD ' ' A' ' 109' ' ' PRO . 78.0 m-85 -133.17 44.26 1.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 108' ' ' PHE . 53.5 Cg_endo -69.79 177.07 5.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.551 HD11 ' CB ' ' A' ' 16' ' ' SER . 30.9 mt -121.82 156.74 58.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.04 20.42 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 113' ' ' GLU . 15.2 ptt? -46.27 -38.88 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 112' ' ' MET . 50.0 mt-10 -35.19 -45.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' CB ' ' A' ' 11' ' ' LEU . 44.8 t -52.29 -60.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -85.32 42.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -81.9 90.1 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -101.65 -57.83 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.526 ' CG ' ' N ' ' A' ' 119' ' ' ALA . 17.8 t60 -163.38 162.03 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 118' ' ' HIS . . . -38.58 148.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -83.6 49.94 1.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -42.49 144.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.3 p -75.88 159.16 31.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -129.92 68.67 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.4 p -117.05 153.65 32.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 70.2 m -110.62 173.7 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 -179.996 . . . . . . . . 0 0 . 1 stop_ save_