data_1x53_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 1x53 _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 ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 119' ' ' THR . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD23 ' NE ' ' A' ' 120' ' ' ARG . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 137' ' ' TYR . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' CE2' ' A' ' 135' ' ' PHE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.6 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' N ' ' A' ' 58' ' ' ASP . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' N ' ' HB1' ' A' ' 42' ' ' ALA . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 78' ' ' TRP . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.428 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.578 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 16.6 m0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.411 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 HD22 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.572 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 13' ' ' ILE . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD23 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 132' ' ' LYS . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.508 HG21 ' CE1' ' A' ' 135' ' ' PHE . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.555 ' CE2' HG23 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.402 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' O ' ' CE ' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 135' ' ' PHE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ARG . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 39' ' ' PHE . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.438 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HB3' ' CA ' ' A' ' 33' ' ' GLN . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.443 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.52 HG12 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.404 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.632 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.581 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 11.4 m0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.57 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.578 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.563 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HZ3' ' CA ' ' A' ' 138' ' ' GLY . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.405 ' CA ' ' HZ3' ' A' ' 132' ' ' LYS . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 HG22 ' CD1' ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 93' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.465 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB2' ' N ' ' A' ' 58' ' ' ASP . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' ' 31' ' ' THR . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.683 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.566 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.529 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.429 ' C ' HD13 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 92' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.45 ' N ' HG23 ' A' ' 91' ' ' ILE . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.587 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.534 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.47 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.489 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 104' ' ' LEU . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CE ' ' A' ' 106' ' ' MET . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.541 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.518 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 135' ' ' PHE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' N ' ' A' ' 29' ' ' VAL . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG21 ' CZ2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 71' ' ' GLU . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' CG2' ' A' ' 31' ' ' THR . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.641 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.507 ' CZ2' HG21 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 18.0 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.518 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.574 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.565 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.564 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 128' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 29' ' ' VAL . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.541 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CD2' ' A' ' 137' ' ' TYR . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' N ' ' HG1' ' A' ' 102' ' ' THR . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 131' ' ' ILE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 36' ' ' VAL . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' CE2' ' A' ' 78' ' ' TRP . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.632 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.527 ' CE2' HG12 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' HG23 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.455 ' CG2' HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.495 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 93' ' ' LEU . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.636 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' GLU . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.569 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' CG1' ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.459 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.464 HG21 ' CE ' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 20' ' ' LEU . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 135' ' ' PHE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 74' ' ' ILE . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 28' ' ' ARG . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.61 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.645 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' THR . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.494 ' CE2' HG12 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 5.0 t60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.643 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 118' ' ' ARG . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 117' ' ' GLU . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.407 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.552 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.442 HD12 ' CG1' ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 29' ' ' VAL . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' HD12 ' A' ' 111' ' ' ILE . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 135' ' ' PHE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 74' ' ' ILE . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 31' ' ' THR . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.61 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.506 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.562 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 92' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 91' ' ' ILE . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.43 HD23 ' CG ' ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 97' ' ' ASP . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.562 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.497 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.563 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.574 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.441 ' CD1' HG12 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.482 HG22 ' CD1' ' A' ' 135' ' ' PHE . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.482 ' CD1' HG22 ' A' ' 134' ' ' THR . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.643 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' N ' HD13 ' A' ' 35' ' ' LEU . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' ARG . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' VAL . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.684 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.684 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.502 ' CE2' HG12 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.548 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 t60 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 92' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 91' ' ' ILE . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.643 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.568 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.57 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.578 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.445 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 74' ' ' ILE . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.611 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.57 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 31' ' ' THR . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 73' ' ' HIS . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.57 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.563 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.523 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 HD23 ' CD2' ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.445 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 128' ' ' PHE . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.571 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 29' ' ' VAL . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 HG21 ' CE ' ' A' ' 106' ' ' MET . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' N ' HD12 ' A' ' 35' ' ' LEU . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' ARG . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 73' ' ' HIS . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.444 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.499 ' CE2' HG13 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.462 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 4.5 t60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.429 HG21 ' CZ ' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.503 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD22 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.429 ' CZ ' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.528 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.485 ' N ' ' HG1' ' A' ' 102' ' ' THR . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.483 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 93' ' ' LEU . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.435 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 73' ' ' HIS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.428 HD12 ' CG2' ' A' ' 31' ' ' THR . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.639 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.521 ' CE2' HG13 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.554 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' C ' HD13 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.428 HD13 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 30' ' ' PHE . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.485 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.576 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.577 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG23 ' CE ' ' A' ' 106' ' ' MET . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CD1' HD21 ' A' ' 26' ' ' LEU . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 19' ' ' PHE . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG23 ' CE2' ' A' ' 135' ' ' PHE . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.444 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 36' ' ' VAL . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.615 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB3' ' CA ' ' A' ' 33' ' ' GLN . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.599 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' HG13 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.581 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 105' ' ' CYS . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.581 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.623 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 115' ' ' GLU . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.555 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 29' ' ' VAL . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.537 HG23 ' CD1' ' A' ' 135' ' ' PHE . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 134' ' ' THR . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.518 HG21 ' CD2' ' A' ' 137' ' ' TYR . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.601 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 135' ' ' PHE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.467 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.559 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.6 m-80 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.476 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.476 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.557 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.415 ' C ' HD11 ' A' ' 91' ' ' ILE . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.465 ' CG2' HG23 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 97' ' ' ASP . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 96' ' ' ILE . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.601 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 128' ' ' PHE . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.522 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.557 ' CE1' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.419 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' A' ' 132' ' ' LYS . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 20' ' ' LEU . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.58 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' N ' HD11 ' A' ' 35' ' ' LEU . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 74' ' ' ILE . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.456 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' N ' ' A' ' 58' ' ' ASP . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.445 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG13 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 31' ' ' THR . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.62 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.443 ' CE2' HG13 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.578 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 16.7 m0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.6 t60 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.59 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 116' ' ' GLU . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.582 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 111' ' ' ILE . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 132' ' ' LYS . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.4 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 HG21 ' CE ' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.504 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' CE2' ' A' ' 135' ' ' PHE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 74' ' ' ILE . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.466 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.607 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.613 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 31' ' ' THR . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.613 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.45 ' NE1' HG11 ' A' ' 61' ' ' VAL . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.504 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.558 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.647 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.556 ' CE2' HG23 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' HD22 ' A' ' 26' ' ' LEU . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.545 HG21 ' CD2' ' A' ' 137' ' ' TYR . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 19' ' ' PHE . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' CG1' HD12 ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.468 ' CG2' HD12 ' A' ' 74' ' ' ILE . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.456 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 31' ' ' THR . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.456 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 92' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' HG23 ' A' ' 91' ' ' ILE . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.576 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.564 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.581 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.462 ' CG ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 128' ' ' PHE . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 21' ' ' THR . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 137' ' ' TYR . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.459 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 35' ' ' LEU . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.46 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 58' ' ' ASP . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' N ' ' HB1' ' A' ' 42' ' ' ALA . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG12 ' CE2' ' A' ' 78' ' ' TRP . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 HD22 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.497 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.663 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 31' ' ' THR . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.663 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.524 ' CE2' HG12 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.472 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.459 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.569 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 112' ' ' PRO . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.557 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 128' ' ' PHE . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 HG21 ' CD2' ' A' ' 137' ' ' TYR . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 74' ' ' ILE . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.58 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE1' ' CE ' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 51' ' ' GLY . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.588 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 31' ' ' THR . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.588 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' CE ' ' OE1' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.531 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.568 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 91' ' ' ILE . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 91' ' ' ILE . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 97' ' ' ASP . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.556 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.45 HD13 ' CG1' ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 137' ' ' TYR . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.614 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 131' ' ' ILE . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 74' ' ' ILE . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' ARG . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.598 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.653 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 31' ' ' THR . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.466 ' CG2' HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.564 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.519 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.442 HD13 ' CG1' ' A' ' 29' ' ' VAL . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.421 ' CE2' HG23 ' A' ' 29' ' ' VAL . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 20' ' ' LEU . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.429 HG21 ' CD2' ' A' ' 137' ' ' TYR . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.492 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.563 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.57 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 73' ' ' HIS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.656 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.656 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.57 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 5.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.492 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.574 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.473 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -88.27 -43.7 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -81.24 140.04 35.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 120.29 4.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -141.17 135.46 30.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -84.99 157.4 20.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.32 -176.44 52.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.79 137.59 19.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.403 ' CD1' HG23 ' A' ' 119' ' ' THR . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD23 ' NE ' ' A' ' 120' ' ' ARG . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 20' ' ' LEU . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 HG23 ' CD2' ' A' ' 137' ' ' TYR . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 ' CE2' ' A' ' 135' ' ' PHE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' N ' ' A' ' 58' ' ' ASP . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' N ' ' HB1' ' A' ' 42' ' ' ALA . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 78' ' ' TRP . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.428 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.46 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.578 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 16.6 m0 -81.85 154.97 70.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.85 176.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.24 139.48 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.28 47.21 21.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.484 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 -131.47 97.23 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.411 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.411 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD22 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.572 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.552 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.403 HG23 ' CD1' ' A' ' 13' ' ' ILE . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD23 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.578 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 132' ' ' LYS . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.508 HG21 ' CE1' ' A' ' 135' ' ' PHE . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.555 ' CE2' HG23 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.402 ' CB ' HD22 ' A' ' 20' ' ' LEU . . . -106.97 -175.09 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.3 p -135.72 163.44 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.9 6.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.18 136.94 18.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.6 m -125.25 165.63 17.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.6 t -99.83 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -155.84 140.75 17.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -121.19 143.08 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.97 99.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -83.81 50.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -115.84 83.19 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.97 -176.38 27.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.01 137.26 19.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' O ' ' CE ' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 135' ' ' PHE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ARG . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.597 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 39' ' ' PHE . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 ' HB3' ' CA ' ' A' ' 33' ' ' GLN . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.443 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.52 HG12 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.571 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.404 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.632 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.52 ' CE2' HG12 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.581 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 11.4 m0 -83.11 157.5 65.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.91 163.48 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.48 134.32 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.03 56.23 22.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -142.28 105.1 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.57 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.578 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.563 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.467 HD12 ' CG1' ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.405 ' HZ3' ' CA ' ' A' ' 138' ' ' GLY . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.405 ' CA ' ' HZ3' ' A' ' 132' ' ' LYS . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.48 75.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 p -39.76 141.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -144.63 173.59 25.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.6 -48.51 13.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -124.7 170.66 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -97.28 85.62 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -127.23 129.83 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 48.04 41.53 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.87 -70.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -104.65 137.47 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -83.37 119.29 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.54 -177.4 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 137.08 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 HG22 ' CD1' ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.547 HG22 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 93' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.465 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB2' ' N ' ' A' ' 58' ' ' ASP . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.424 HD21 ' C ' ' A' ' 31' ' ' THR . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.566 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.683 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.566 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.529 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 -54.24 158.09 4.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.88 171.87 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.82 129.06 34.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.25 44.32 95.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -131.51 101.5 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 ' C ' HD13 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 92' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' N ' HG23 ' A' ' 91' ' ' ILE . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.587 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.534 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.534 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.47 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.489 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 104' ' ' LEU . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.547 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.473 ' CB ' HD23 ' A' ' 20' ' ' LEU . . . -103.69 148.7 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.9 m -96.46 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.58 165.09 25.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 143' ' ' SER . 71.5 Cg_exo -46.26 115.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' PRO . 13.3 t 34.38 44.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.8 m -158.64 141.62 14.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -163.44 147.43 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -59.73 -49.97 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.29 73.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -73.92 140.38 45.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -64.98 -60.36 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.29 -178.31 35.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 137.23 19.36 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG22 ' CE ' ' A' ' 106' ' ' MET . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.541 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.518 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.538 HG21 ' CE2' ' A' ' 135' ' ' PHE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.472 HD13 ' N ' ' A' ' 29' ' ' VAL . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG21 ' CZ2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 71' ' ' GLU . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' CG2' ' A' ' 31' ' ' THR . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.641 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.507 ' CZ2' HG21 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 18.0 m0 -83.54 156.72 65.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -53.02 168.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.83 140.56 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.58 53.81 6.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.477 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 -134.54 97.52 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.518 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.574 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.565 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.564 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.564 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 128' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.459 HG21 ' CD1' ' A' ' 135' ' ' PHE . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' A' ' 29' ' ' VAL . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.541 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.471 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -120.99 109.33 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 86.6 p -49.8 143.19 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -152.34 143.87 10.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.88 -49.77 13.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.9 p -125.21 139.53 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -54.91 -56.91 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.07 -45.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -105.82 140.68 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.11 -151.94 8.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -65.26 -42.23 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -61.41 160.31 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.85 -179.08 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.87 138.12 20.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.486 HG23 ' CD2' ' A' ' 137' ' ' TYR . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' N ' ' HG1' ' A' ' 102' ' ' THR . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 ' CG1' HD12 ' A' ' 131' ' ' ILE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' ARG . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 36' ' ' VAL . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' CE2' ' A' ' 78' ' ' TRP . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.632 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.464 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.527 ' CE2' HG12 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' HG23 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.589 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 -50.49 158.24 1.09 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -51.66 174.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -77.18 133.41 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.01 50.71 50.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -131.24 100.28 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.455 ' CG2' HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.495 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 93' ' ' LEU . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.58 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.636 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' GLU . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.569 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' CG1' ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.459 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -119.97 -47.8 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 88.7 p -109.43 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -103.66 -143.66 12.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.27 131.88 15.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -90.68 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 71.3 m -59.06 -54.05 51.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 t -119.48 45.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.1 m -34.79 -61.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 59.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -133.65 174.92 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -121.96 -60.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -177.76 16.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.06 137.69 19.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.464 HG21 ' CE ' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.472 HD23 ' N ' ' A' ' 20' ' ' LEU . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' CE2' ' A' ' 135' ' ' PHE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 74' ' ' ILE . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 28' ' ' ARG . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.61 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.645 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.576 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 31' ' ' THR . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.619 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.415 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.494 ' CE2' HG12 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 -53.47 159.34 2.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 55.7 Cg_endo -69.18 146.49 63.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.18 152.3 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.72 37.83 43.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.464 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.0 t60 -135.0 96.77 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.577 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.643 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.413 ' CG ' ' H ' ' A' ' 118' ' ' ARG . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.413 ' H ' ' CG ' ' A' ' 117' ' ' GLU . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.407 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.552 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.442 HD12 ' CG1' ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.561 ' CE2' HG22 ' A' ' 29' ' ' VAL . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.423 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -124.79 -39.76 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 m -165.9 176.57 7.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.57 176.12 36.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.85 -26.54 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -54.2 -50.45 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.7 p -126.82 113.37 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 83.6 p -123.17 99.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.65 -50.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 121.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -128.87 159.75 34.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -98.9 -54.07 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 -178.84 31.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.18 136.48 19.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' CG1' HD12 ' A' ' 111' ' ' ILE . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.472 HG21 ' CG ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 135' ' ' PHE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 74' ' ' ILE . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.573 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.489 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 31' ' ' THR . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.61 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.506 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.563 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 -54.13 161.69 1.79 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.63 160.1 5.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -71.4 122.08 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.23 49.21 27.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 -139.95 105.4 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 92' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.468 ' N ' HG23 ' A' ' 91' ' ' ILE . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.43 HD23 ' CG ' ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 97' ' ' ASP . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.562 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.497 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.472 HD12 ' CG1' ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.563 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.574 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.441 ' CD1' HG12 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.482 HG22 ' CD1' ' A' ' 135' ' ' PHE . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.482 ' CD1' HG22 ' A' ' 134' ' ' THR . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -126.77 81.62 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' ALA . 35.3 t -36.51 -47.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.38 153.31 28.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.7 -48.32 14.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -164.72 150.62 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.1 t -108.81 152.37 24.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.2 p -37.45 135.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -82.66 107.86 15.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -125.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -91.01 40.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -113.48 90.0 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.4 -175.91 19.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.92 124.27 36.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.643 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' N ' HD13 ' A' ' 35' ' ' LEU . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' ARG . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 36' ' ' VAL . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.684 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.684 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.502 ' CE2' HG12 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.548 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 -51.53 159.91 1.12 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.69 150.18 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.01 107.9 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.66 45.26 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -142.76 105.04 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 92' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 91' ' ' ILE . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.643 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.463 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.568 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.57 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.578 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.572 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -127.23 -49.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -77.1 176.86 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -134.19 179.57 17.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.93 167.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.5 m -128.75 42.82 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 38.1 m -92.94 88.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -78.15 -49.54 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -70.06 163.8 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 -171.63 47.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -110.24 43.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -121.45 77.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.8 -177.48 31.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.84 137.77 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' CG2' ' HE1' ' A' ' 106' ' ' MET . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.564 HG23 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 74' ' ' ILE . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.611 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.575 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.57 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.56 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.582 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 HD12 ' CG2' ' A' ' 31' ' ' THR . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 73' ' ' HIS . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.57 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.563 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 -54.46 158.88 3.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.0 175.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -83.32 125.06 31.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.39 41.34 94.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.523 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 -128.19 102.51 6.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 HD23 ' CD2' ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.445 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.467 HD23 ' CE1' ' A' ' 128' ' ' PHE . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.571 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.575 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.57 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' HG23 ' A' ' 29' ' ' VAL . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -120.92 140.19 52.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.8 p -84.72 47.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -91.22 -178.88 42.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.44 103.15 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 p -54.28 -37.67 65.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 m -93.64 45.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -140.26 144.86 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -120.72 95.9 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.91 64.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -142.59 131.85 23.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -67.99 99.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -179.72 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.43 137.53 19.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG21 ' CE ' ' A' ' 106' ' ' MET . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' N ' HD12 ' A' ' 35' ' ' LEU . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 28' ' ' ARG . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.406 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.499 HG13 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 73' ' ' HIS . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.444 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.499 ' CE2' HG13 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.462 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 -51.08 158.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.474 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.8 Cg_endo -68.1 153.9 73.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 86' ' ' GLY . 36.9 tp10 -56.52 151.6 13.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . 47.72 43.17 22.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.474 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 4.5 t60 -134.91 93.58 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 HG21 ' CZ ' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.503 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD22 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.429 ' CZ ' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.528 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.65 -55.05 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 p -148.24 168.47 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.92 153.32 24.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.65 -46.63 14.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -96.78 -61.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 19.5 m 52.66 42.69 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -62.05 99.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -73.18 -57.03 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 134.64 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -156.53 163.01 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -71.51 102.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.45 -177.01 19.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -104.66 138.59 19.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.485 ' N ' ' HG1' ' A' ' 102' ' ' THR . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.483 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' CE2' HD13 ' A' ' 93' ' ' LEU . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.435 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.569 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.579 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.579 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.521 HG13 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 73' ' ' HIS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.428 HD12 ' CG2' ' A' ' 31' ' ' THR . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.639 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.521 ' CE2' HG13 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.554 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 -53.93 156.31 5.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.06 140.3 32.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -55.86 118.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.71 44.74 11.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.404 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 -135.73 106.73 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' C ' HD13 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.428 HD13 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 30' ' ' PHE . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.485 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.576 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.577 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.26 -43.82 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.8 t 63.47 45.82 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.19 -151.18 28.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.47 162.02 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.733 2.289 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.7 m -129.43 93.42 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.3 p -44.57 119.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -101.97 135.82 42.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -51.34 -37.75 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.31 -67.98 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 72.39 30.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -80.87 85.06 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.45 178.48 29.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.5 139.09 19.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG23 ' CE ' ' A' ' 106' ' ' MET . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CD1' HD21 ' A' ' 26' ' ' LEU . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 19' ' ' PHE . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG23 ' CE2' ' A' ' 135' ' ' PHE . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.444 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 36' ' ' VAL . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.615 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.4 ' HB3' ' CA ' ' A' ' 33' ' ' GLN . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.525 HG13 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.427 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.599 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.525 ' CE2' HG13 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.581 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 -54.21 158.76 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.76 155.99 5.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.37 128.88 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.41 54.35 36.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.426 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -132.91 102.8 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 105' ' ' CYS . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.581 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.581 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.623 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 115' ' ' GLU . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.555 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 29' ' ' VAL . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.537 HG23 ' CD1' ' A' ' 135' ' ' PHE . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 134' ' ' THR . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.451 ' CB ' HD23 ' A' ' 20' ' ' LEU . . . -109.9 -61.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.9 m -139.19 146.26 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -130.5 176.73 18.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 -27.37 8.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.1 m -156.08 121.36 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 m -42.84 142.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -118.03 92.77 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -41.15 142.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -65.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -84.6 91.28 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -42.64 130.68 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 179.19 22.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.11 137.09 21.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.518 HG21 ' CD2' ' A' ' 137' ' ' TYR . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.601 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 135' ' ' PHE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.467 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.559 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.577 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.577 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.6 m-80 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.476 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.644 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.476 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.557 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 -56.36 155.07 14.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.41 156.11 8.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -66.17 141.05 58.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.63 38.08 70.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 -128.58 101.77 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.415 ' C ' HD11 ' A' ' 91' ' ' ILE . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.465 ' CG2' HG23 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 97' ' ' ASP . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 96' ' ' ILE . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.601 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD22 ' CE1' ' A' ' 128' ' ' PHE . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.522 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.557 ' CE1' HD22 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.419 ' CD1' ' CG1' ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.15 166.38 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.8 t -72.08 115.52 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.05 13.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.65 150.38 27.65 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.7 m -116.28 133.63 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.5 p -46.09 130.96 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -53.42 131.01 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -109.58 148.41 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.48 150.29 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 14.3 m -37.45 -49.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.818 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 52.48 48.61 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.31 -175.43 54.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.95 124.0 33.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' A' ' 132' ' ' LYS . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 20' ' ' LEU . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.58 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' N ' HD11 ' A' ' 35' ' ' LEU . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 ' CG2' HD13 ' A' ' 74' ' ' ILE . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.456 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.578 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' N ' ' A' ' 58' ' ' ASP . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.445 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG13 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 31' ' ' THR . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.62 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.443 ' CE2' HG13 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.578 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 16.7 m0 -54.03 160.16 2.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 168.38 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.53 137.12 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.41 56.44 4.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.6 t60 -134.5 106.5 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.59 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.402 HG22 ' HA ' ' A' ' 116' ' ' GLU . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.582 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 111' ' ' ILE . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.449 ' O ' ' C ' ' A' ' 132' ' ' LYS . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.4 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -103.47 36.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.3 m 62.37 40.46 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 65.06 -159.11 44.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.0 153.69 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.4 p -85.83 158.52 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.6 p -166.03 119.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -71.77 -12.25 61.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -87.39 166.01 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 115.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 19.6 m -141.05 154.82 46.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 m -35.76 127.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 -175.32 35.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.52 137.55 19.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 HG21 ' CE ' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.504 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG23 ' CE2' ' A' ' 135' ' ' PHE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 74' ' ' ILE . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.466 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.607 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB3' ' N ' ' A' ' 58' ' ' ASP . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' N ' ' HB3' ' A' ' 42' ' ' ALA . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' A' ' 80' ' ' PHE . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.613 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 31' ' ' THR . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.613 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.45 ' NE1' HG11 ' A' ' 61' ' ' VAL . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 -51.03 157.93 1.31 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.25 161.17 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.75 122.43 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.01 50.81 43.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -132.94 102.16 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CE2' ' HG2' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.444 ' CG2' HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.504 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.558 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.647 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.556 ' CE2' HG23 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.426 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -98.38 -47.51 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -103.18 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -92.61 -160.21 35.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.12 172.06 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 m -149.08 154.97 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.7 p -98.71 105.7 17.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -97.92 93.99 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -143.2 133.14 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 119.47 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -116.72 42.74 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 136.73 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -176.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.86 137.13 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.408 HG22 ' CE ' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CD1' HD22 ' A' ' 26' ' ' LEU . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.545 HG21 ' CD2' ' A' ' 137' ' ' TYR . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 19' ' ' PHE . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' CG1' HD12 ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.468 ' CG2' HD12 ' A' ' 74' ' ' ILE . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.603 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.456 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.57 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.485 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 31' ' ' THR . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.456 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.578 ' HG2' ' CD2' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 -53.5 159.73 2.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.28 -177.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -83.59 135.84 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 49.39 51.83 25.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -134.95 100.92 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.578 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 92' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' HG23 ' A' ' 91' ' ' ILE . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.576 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.564 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.581 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.462 ' CG ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 128' ' ' PHE . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 21' ' ' THR . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -132.81 -63.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -140.53 122.86 15.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -74.08 167.22 54.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.9 159.91 30.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.5 p -129.63 43.95 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.4 m -135.76 145.05 46.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -142.78 176.46 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 t -65.63 150.69 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.34 58.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -122.6 140.31 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -133.0 101.56 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.29 -178.03 42.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.97 137.64 20.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 HG22 ' CD2' ' A' ' 137' ' ' TYR . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' N ' ' HG1' ' A' ' 102' ' ' THR . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' THR . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' N ' HD13 ' A' ' 35' ' ' LEU . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.46 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.606 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.572 HG22 ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB1' ' N ' ' A' ' 58' ' ' ASP . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' N ' ' HB1' ' A' ' 42' ' ' ALA . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG12 ' CE2' ' A' ' 78' ' ' TRP . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 HD22 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.497 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.663 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 31' ' ' THR . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.663 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.524 ' CE2' HG12 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 -79.74 161.87 64.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.0 Cg_endo -67.1 137.39 44.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 86' ' ' GLY . 5.5 tp10 -50.61 151.26 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . 50.93 41.2 44.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 8.9 t60 -139.52 103.77 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.472 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.459 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.569 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.58 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.64 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 112' ' ' PRO . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.557 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 128' ' ' PHE . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.483 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.456 ' CB ' HD21 ' A' ' 20' ' ' LEU . . . -92.69 124.14 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.6 m -71.23 113.84 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.49 -157.8 8.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.77 141.51 8.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.8 m -89.5 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -79.59 117.58 20.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -81.53 132.64 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -82.36 152.43 26.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 -83.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -92.37 177.05 6.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -102.62 141.83 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 179.97 16.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.97 137.33 19.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 HG21 ' CD2' ' A' ' 137' ' ' TYR . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' CG2' HD11 ' A' ' 74' ' ' ILE . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.587 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.572 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.58 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' OE1' ' CE ' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 51' ' ' GLY . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.512 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.588 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 31' ' ' THR . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.588 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' CE ' ' OE1' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.531 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.568 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 -57.15 157.79 11.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.76 164.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.48 127.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.97 42.92 96.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -132.61 100.23 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' N ' HD13 ' A' ' 91' ' ' ILE . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.46 ' N ' HG21 ' A' ' 91' ' ' ILE . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 97' ' ' ASP . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.573 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.556 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.581 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.45 HD13 ' CG1' ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.75 -46.37 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.6 p -163.36 158.24 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.76 164.79 24.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.18 122.24 6.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.4 t -50.6 98.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.3 t -108.02 98.69 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -108.88 118.29 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -174.63 164.64 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.01 150.63 6.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -169.89 147.01 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -56.61 119.15 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.01 -178.33 42.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.02 138.13 19.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 137' ' ' TYR . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.614 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 131' ' ' ILE . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 ' CG2' HD13 ' A' ' 74' ' ' ILE . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 28' ' ' ARG . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.598 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.546 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.573 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG22 ' CZ2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 51' ' ' GLY . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.653 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' CG2' ' A' ' 31' ' ' THR . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.573 ' CZ2' HG22 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 -56.22 157.26 9.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.27 173.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.91 130.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.09 38.31 95.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -128.62 99.49 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.466 ' CG2' HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.614 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.573 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.564 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.519 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.442 HD13 ' CG1' ' A' ' 29' ' ' VAL . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.421 ' CE2' HG23 ' A' ' 29' ' ' VAL . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.559 ' CD2' HG22 ' A' ' 21' ' ' THR . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.89 -50.23 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.3 t -168.83 117.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -177.59 157.92 22.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.03 115.34 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.5 m -95.37 126.12 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.6 p -77.25 -45.92 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -91.4 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 p -100.42 171.71 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 43.55 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -139.75 132.25 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.9 t -35.75 119.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -179.16 28.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.43 139.15 20.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 20' ' ' LEU . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.429 HG21 ' CD2' ' A' ' 137' ' ' TYR . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.492 ' N ' ' HG1' ' A' ' 102' ' ' THR . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 35' ' ' LEU . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.563 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.563 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.563 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.57 ' CG1' ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' GLY . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG22 ' CD2' ' A' ' 73' ' ' HIS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.656 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.656 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.57 ' CE2' ' CG1' ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 -53.64 160.0 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 39.9 Cg_endo -64.66 140.89 70.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 86' ' ' GLY . 17.0 tt0 -53.36 149.3 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.422 ' N ' ' HG2' ' A' ' 85' ' ' GLU . . . 55.78 36.03 64.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.459 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.9 t60 -135.29 102.73 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 HD11 ' N ' ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.492 ' HG1' ' N ' ' A' ' 23' ' ' PRO . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.574 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.589 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.473 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.473 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -110.6 -42.36 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.2 t -158.37 113.24 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -127.59 -172.96 13.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.81 -170.58 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.634 2.222 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.0 t -141.67 154.41 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 m -78.45 149.9 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG22 ' HG ' ' A' ' 15' ' ' LEU . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD13 ' HG3' ' A' ' 124' ' ' GLN . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 131' ' ' ILE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HD11 ' A' ' 46' ' ' LEU . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 32' ' ' THR . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.67 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.0 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 57' ' ' VAL . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' PHE . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.474 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.59 HG23 HD23 ' A' ' 68' ' ' LEU . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.586 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.598 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.6 m0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 75' ' ' VAL . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 104' ' ' LEU . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' ASP . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.592 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.666 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.538 ' CD1' HG11 ' A' ' 29' ' ' VAL . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.505 HG22 ' HE3' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.833 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 131' ' ' ILE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HD11 ' A' ' 46' ' ' LEU . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HB ' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 32' ' ' THR . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.783 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 30.1 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' VAL . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.533 HG23 HD23 ' A' ' 68' ' ' LEU . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 11.4 m0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.516 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.516 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 106' ' ' MET . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 103' ' ' GLU . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.677 ' HB3' HD12 ' A' ' 96' ' ' ILE . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' ' 93' ' ' LEU . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.64 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.582 HD13 HG11 ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.586 ' CG2' HD11 ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.703 HD21 ' NE ' ' A' ' 120' ' ' ARG . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.937 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.613 ' O ' HD11 ' A' ' 46' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.874 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 38.2 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.857 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 65' ' ' PHE . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.529 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.483 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 HD23 ' A' ' 68' ' ' LEU . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 92' ' ' THR . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.637 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 75' ' ' VAL . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 103' ' ' GLU . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 96' ' ' ILE . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 93' ' ' LEU . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 119' ' ' THR . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.506 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.46 HG21 HG12 ' A' ' 111' ' ' ILE . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.703 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 127' ' ' TYR . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.937 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.997 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 74' ' ' ILE . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 131' ' ' ILE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 46' ' ' LEU . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 32' ' ' THR . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.5 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' VAL . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.842 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD21 ' CD2' ' A' ' 65' ' ' PHE . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.587 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 92' ' ' THR . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 18.0 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.534 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.668 HG23 HG22 ' A' ' 75' ' ' VAL . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' ILE . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.589 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 HG12 ' A' ' 13' ' ' ILE . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 135' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CD1' HG23 ' A' ' 131' ' ' ILE . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.997 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD22 ' NE2' ' A' ' 124' ' ' GLN . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 74' ' ' ILE . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' CE2' ' A' ' 135' ' ' PHE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' O ' HD11 ' A' ' 46' ' ' LEU . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.1 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.717 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 57' ' ' VAL . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 80' ' ' PHE . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.769 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' CD2' ' A' ' 65' ' ' PHE . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.44 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 HD23 ' A' ' 68' ' ' LEU . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.822 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.448 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.822 HG23 HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 97' ' ' ASP . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.598 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.606 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.73 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.73 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 13' ' ' ILE . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.58 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.409 HG12 HG11 ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.479 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.479 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.913 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 111' ' ' ILE . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.569 HG22 ' HE3' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.989 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HE1' ' A' ' 30' ' ' PHE . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 131' ' ' ILE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.7 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.685 ' CE1' HG23 ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.674 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD13 HG21 ' A' ' 36' ' ' VAL . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.453 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.41 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 92' ' ' THR . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 5.0 t60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 75' ' ' VAL . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.423 HD13 HG12 ' A' ' 13' ' ' ILE . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.727 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.727 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' HG3' ' A' ' 121' ' ' GLN . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.613 HD13 HG11 ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.989 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 ' HE3' ' A' ' 106' ' ' MET . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.803 HG23 ' HG2' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 74' ' ' ILE . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 131' ' ' ILE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' HD11 ' A' ' 46' ' ' LEU . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 32' ' ' THR . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.3 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.61 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' HG21 ' A' ' 36' ' ' VAL . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 65' ' ' PHE . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.6 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.722 HG23 HD23 ' A' ' 68' ' ' LEU . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 92' ' ' THR . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.49 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.575 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.548 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.815 HG23 HG22 ' A' ' 75' ' ' VAL . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 103' ' ' GLU . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 96' ' ' ILE . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.692 ' HE3' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.803 ' HG2' HG23 ' A' ' 14' ' ' THR . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.842 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.528 HD13 HG11 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.89 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 13' ' ' ILE . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD21 ' HE ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 131' ' ' ILE . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' O ' HD11 ' A' ' 46' ' ' LEU . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 31.9 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 57' ' ' VAL . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.767 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.484 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.561 HG23 HD23 ' A' ' 68' ' ' LEU . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.824 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.595 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 91' ' ' ILE . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.824 HG23 HG22 ' A' ' 75' ' ' VAL . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD11 HD22 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.496 HD13 ' CG1' ' A' ' 13' ' ' ILE . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HE ' HD21 ' A' ' 15' ' ' LEU . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.502 ' CD1' HG11 ' A' ' 29' ' ' VAL . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.804 HD22 ' OE1' ' A' ' 124' ' ' GLN . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 137' ' ' TYR . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.3 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.641 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.412 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 56' ' ' MET . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 68' ' ' LEU . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.72 HG22 HG23 ' A' ' 92' ' ' THR . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.593 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.72 HG23 HG22 ' A' ' 75' ' ' VAL . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 93' ' ' LEU . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.601 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' A' ' 15' ' ' LEU . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.401 ' CG ' ' HG2' ' A' ' 117' ' ' GLU . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.804 ' OE1' HD22 ' A' ' 15' ' ' LEU . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 131' ' ' ILE . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 32' ' ' THR . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.613 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 31.8 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.613 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.412 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.571 HG23 HD23 ' A' ' 68' ' ' LEU . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 92' ' ' THR . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.434 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 4.5 t60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.502 HG21 ' NH2' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.7 HG23 HG22 ' A' ' 75' ' ' VAL . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 104' ' ' LEU . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ASP . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.502 ' NH2' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.583 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.503 HG12 HG11 ' A' ' 29' ' ' VAL . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.795 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG22 ' CE2' ' A' ' 135' ' ' PHE . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' H ' ' A' ' 46' ' ' LEU . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.1 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' VAL . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 36' ' ' VAL . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.826 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.525 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.826 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.525 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 HD23 ' A' ' 68' ' ' LEU . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.569 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.456 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.678 ' OG1' HG13 ' A' ' 75' ' ' VAL . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' ASP . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 128' ' ' PHE . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.401 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' HG3' ' A' ' 116' ' ' GLU . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 74' ' ' ILE . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 46' ' ' LEU . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.826 ' O ' HG23 ' A' ' 36' ' ' VAL . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 32' ' ' THR . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.74 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.4 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 36' ' ' VAL . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.787 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.565 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.565 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 68' ' ' LEU . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.724 HG22 HG23 ' A' ' 92' ' ' THR . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.409 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.724 HG23 HG22 ' A' ' 75' ' ' VAL . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.61 HD22 ' CG ' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.472 HD12 ' OE2' ' A' ' 103' ' ' GLU . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' OE2' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.61 ' CG ' HD22 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.705 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 13' ' ' ILE . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' A' ' 15' ' ' LEU . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' LYS . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 131' ' ' ILE . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.87 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' HG22 ' A' ' 13' ' ' ILE . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 131' ' ' ILE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' HD11 ' A' ' 46' ' ' LEU . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 32' ' ' THR . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.9 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' A' ' 58' ' ' ASP . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 36' ' ' VAL . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.582 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.4 m120 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.835 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 65' ' ' PHE . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.508 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.558 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.487 HG23 HD23 ' A' ' 68' ' ' LEU . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 92' ' ' THR . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.546 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.547 ' CG ' HD22 ' A' ' 93' ' ' LEU . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.606 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 124' ' ' GLN . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CE1' HD23 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.608 HD13 HG11 ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.409 HG21 ' NE2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 135' ' ' PHE . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 32' ' ' THR . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 30.9 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.612 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.733 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.532 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 ' CD2' ' A' ' 65' ' ' PHE . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.532 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.537 HG23 HD23 ' A' ' 68' ' ' LEU . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.792 HG22 HG23 ' A' ' 92' ' ' THR . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.7 m0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' HG21 ' A' ' 8' ' ' ILE . 49.8 t-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.521 ' C ' HD12 ' A' ' 91' ' ' ILE . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 90' ' ' THR . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.792 HG23 HG22 ' A' ' 75' ' ' VAL . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 128' ' ' PHE . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.605 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.596 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.474 HD13 HG11 ' A' ' 29' ' ' VAL . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.583 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.881 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' HE3' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' CD2' ' HE ' ' A' ' 120' ' ' ARG . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 131' ' ' ILE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 46' ' ' LEU . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ARG . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' THR . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.2 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' HG23 ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.708 HG23 ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' VAL . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG11 ' NE1' ' A' ' 78' ' ' TRP . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.696 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD11 ' HD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.51 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.668 HG23 HD23 ' A' ' 68' ' ' LEU . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.891 HG22 HG23 ' A' ' 92' ' ' THR . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 119' ' ' THR . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.597 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.481 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.891 HG23 HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 104' ' ' LEU . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 93' ' ' LEU . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.732 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.732 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.586 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 29' ' ' VAL . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.481 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.793 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 46' ' ' LEU . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 32' ' ' THR . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.501 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 68' ' ' LEU . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.599 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.59 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.487 ' C ' HD12 ' A' ' 91' ' ' ILE . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 75' ' ' VAL . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' ILE . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.597 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.59 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.591 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 29' ' ' VAL . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.505 ' CD1' HG23 ' A' ' 131' ' ' ILE . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.938 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 116' ' ' GLU . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' NE ' ' A' ' 120' ' ' ARG . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 135' ' ' PHE . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' HD11 ' A' ' 46' ' ' LEU . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 32' ' ' THR . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.4 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.538 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 80' ' ' PHE . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.795 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.795 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.463 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.671 HG23 HD23 ' A' ' 68' ' ' LEU . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.558 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.525 HD22 HD21 ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.591 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.733 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.733 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 13' ' ' ILE . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.422 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD21 ' A' ' 15' ' ' LEU . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 127' ' ' TYR . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.711 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.74 HG12 HD13 ' A' ' 111' ' ' ILE . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD22 ' NE2' ' A' ' 124' ' ' GLN . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 32' ' ' THR . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.661 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.6 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 36' ' ' VAL . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.661 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.41 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 56' ' ' MET . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.734 ' HD2' HD11 ' A' ' 68' ' ' LEU . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD11 ' HD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.685 HG23 HD23 ' A' ' 68' ' ' LEU . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 92' ' ' THR . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.473 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.584 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.584 HD12 ' C ' ' A' ' 90' ' ' THR . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.748 HG23 HG22 ' A' ' 75' ' ' VAL . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 104' ' ' LEU . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.467 HD12 ' HB3' ' A' ' 103' ' ' GLU . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HB3' HD12 ' A' ' 96' ' ' ILE . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.6 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.74 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.596 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.585 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.792 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 13' ' ' ILE . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 124' ' ' GLN . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 36' ' ' VAL . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 32' ' ' THR . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.8 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.452 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 68' ' ' LEU . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.875 HG22 HG23 ' A' ' 92' ' ' THR . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.632 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.591 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.5 m0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.418 ' C ' HD12 ' A' ' 91' ' ' ILE . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.875 HG23 HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 106' ' ' MET . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.489 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 127' ' ' TYR . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.856 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 111' ' ' ILE . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' A' ' 135' ' ' PHE . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 46' ' ' LEU . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.6 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.456 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG23 HD23 ' A' ' 68' ' ' LEU . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 92' ' ' THR . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.759 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.599 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 5.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG22 ' A' ' 75' ' ' VAL . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 13' ' ' ILE . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.615 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 127' ' ' TYR . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.494 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.494 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -88.27 -43.7 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -81.24 140.04 35.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 120.29 4.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -141.17 135.46 30.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -84.99 157.4 20.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.32 -176.44 52.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.79 137.59 19.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG22 ' HG ' ' A' ' 15' ' ' LEU . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD13 ' HG3' ' A' ' 124' ' ' GLN . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 131' ' ' ILE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HD11 ' A' ' 46' ' ' LEU . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 32' ' ' THR . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.67 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.0 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 57' ' ' VAL . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' PHE . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.474 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.59 HG23 HD23 ' A' ' 68' ' ' LEU . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.586 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.598 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.6 m0 -81.85 154.97 70.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.85 176.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.24 139.48 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.28 47.21 21.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 -131.47 97.23 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 75' ' ' VAL . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 104' ' ' LEU . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' ASP . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.592 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.666 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.538 ' CD1' HG11 ' A' ' 29' ' ' VAL . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -106.97 -175.09 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.3 p -135.72 163.44 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.9 6.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.18 136.94 18.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.6 m -125.25 165.63 17.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.6 t -99.83 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -155.84 140.75 17.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -121.19 143.08 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.97 99.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -83.81 50.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -115.84 83.19 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.97 -176.38 27.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.01 137.26 19.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.505 HG22 ' HE3' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.833 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 131' ' ' ILE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HD11 ' A' ' 46' ' ' LEU . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HB ' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 32' ' ' THR . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.783 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 30.1 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' VAL . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.533 HG23 HD23 ' A' ' 68' ' ' LEU . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 11.4 m0 -83.11 157.5 65.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.91 163.48 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.48 134.32 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.03 56.23 22.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -142.28 105.1 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.516 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.516 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 106' ' ' MET . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 103' ' ' GLU . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.677 ' HB3' HD12 ' A' ' 96' ' ' ILE . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' ' 93' ' ' LEU . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.64 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.582 HD13 HG11 ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -112.48 75.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 p -39.76 141.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -144.63 173.59 25.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.6 -48.51 13.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -124.7 170.66 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -97.28 85.62 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -127.23 129.83 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 48.04 41.53 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.87 -70.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -104.65 137.47 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -83.37 119.29 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.54 -177.4 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 137.08 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.586 ' CG2' HD11 ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.703 HD21 ' NE ' ' A' ' 120' ' ' ARG . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.937 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.613 ' O ' HD11 ' A' ' 46' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.874 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 38.2 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.857 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 65' ' ' PHE . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.529 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.483 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 HD23 ' A' ' 68' ' ' LEU . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.658 HG22 HG23 ' A' ' 92' ' ' THR . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.637 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 -54.24 158.09 4.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.88 171.87 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.82 129.06 34.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.25 44.32 95.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -131.51 101.5 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 75' ' ' VAL . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 103' ' ' GLU . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.424 ' C ' ' OD1' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 96' ' ' ILE . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 93' ' ' LEU . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 119' ' ' THR . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.506 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.46 HG21 HG12 ' A' ' 111' ' ' ILE . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.703 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 127' ' ' TYR . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.937 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -103.69 148.7 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.9 m -96.46 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.58 165.09 25.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 143' ' ' SER . 71.5 Cg_exo -46.26 115.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' PRO . 13.3 t 34.38 44.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.8 m -158.64 141.62 14.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -163.44 147.43 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -59.73 -49.97 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.29 73.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -73.92 140.38 45.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -64.98 -60.36 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.29 -178.31 35.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 137.23 19.36 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.997 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 74' ' ' ILE . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 131' ' ' ILE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 46' ' ' LEU . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 32' ' ' THR . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.5 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' VAL . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.842 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD21 ' CD2' ' A' ' 65' ' ' PHE . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.587 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 92' ' ' THR . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 18.0 m0 -83.54 156.72 65.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -53.02 168.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.83 140.56 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.58 53.81 6.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 -134.54 97.52 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.534 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.668 HG23 HG22 ' A' ' 75' ' ' VAL . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' ILE . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.589 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 HG12 ' A' ' 13' ' ' ILE . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 135' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CD1' HG23 ' A' ' 131' ' ' ILE . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.997 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -120.99 109.33 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 86.6 p -49.8 143.19 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -152.34 143.87 10.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.88 -49.77 13.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.9 p -125.21 139.53 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -54.91 -56.91 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.07 -45.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -105.82 140.68 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.11 -151.94 8.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -65.26 -42.23 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -61.41 160.31 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.85 -179.08 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.87 138.12 20.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD22 ' NE2' ' A' ' 124' ' ' GLN . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 74' ' ' ILE . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' CE2' ' A' ' 135' ' ' PHE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' O ' HD11 ' A' ' 46' ' ' LEU . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.1 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.717 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 57' ' ' VAL . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 80' ' ' PHE . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.769 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' CD2' ' A' ' 65' ' ' PHE . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.44 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 HD23 ' A' ' 68' ' ' LEU . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.822 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.448 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 -50.49 158.24 1.09 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -51.66 174.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -77.18 133.41 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.01 50.71 50.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -131.24 100.28 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.822 HG23 HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 97' ' ' ASP . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.598 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.606 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.73 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.73 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 13' ' ' ILE . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.58 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.409 HG12 HG11 ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.479 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.479 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.913 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -119.97 -47.8 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 88.7 p -109.43 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -103.66 -143.66 12.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.27 131.88 15.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -90.68 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 71.3 m -59.06 -54.05 51.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 t -119.48 45.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.1 m -34.79 -61.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 59.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -133.65 174.92 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -121.96 -60.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -177.76 16.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.06 137.69 19.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 111' ' ' ILE . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.569 HG22 ' HE3' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.989 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HE1' ' A' ' 30' ' ' PHE . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 131' ' ' ILE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.7 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.685 ' CE1' HG23 ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.674 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD13 HG21 ' A' ' 36' ' ' VAL . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.453 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.41 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 92' ' ' THR . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 -53.47 159.34 2.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 55.7 Cg_endo -69.18 146.49 63.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.18 152.3 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.72 37.83 43.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.0 t60 -135.0 96.77 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 75' ' ' VAL . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.423 HD13 HG12 ' A' ' 13' ' ' ILE . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.727 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.727 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' HG3' ' A' ' 121' ' ' GLN . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.613 HD13 HG11 ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.989 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -124.79 -39.76 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 m -165.9 176.57 7.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.57 176.12 36.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.85 -26.54 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -54.2 -50.45 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.7 p -126.82 113.37 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 83.6 p -123.17 99.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.65 -50.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 121.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -128.87 159.75 34.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -98.9 -54.07 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 -178.84 31.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.18 136.48 19.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 ' HE3' ' A' ' 106' ' ' MET . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.803 HG23 ' HG2' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 74' ' ' ILE . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 131' ' ' ILE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' HD11 ' A' ' 46' ' ' LEU . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 32' ' ' THR . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.3 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.61 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' HG21 ' A' ' 36' ' ' VAL . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 57' ' ' VAL . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 65' ' ' PHE . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.6 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.722 HG23 HD23 ' A' ' 68' ' ' LEU . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 92' ' ' THR . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.49 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.575 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 -54.13 161.69 1.79 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.63 160.1 5.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -71.4 122.08 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.23 49.21 27.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 -139.95 105.4 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.548 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.815 HG23 HG22 ' A' ' 75' ' ' VAL . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 103' ' ' GLU . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 96' ' ' ILE . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.692 ' HE3' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.803 ' HG2' HG23 ' A' ' 14' ' ' THR . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.842 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.528 HD13 HG11 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.89 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -126.77 81.62 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' ALA . 35.3 t -36.51 -47.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.38 153.31 28.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.7 -48.32 14.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -164.72 150.62 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.1 t -108.81 152.37 24.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.2 p -37.45 135.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -82.66 107.86 15.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -125.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -91.01 40.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -113.48 90.0 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.4 -175.91 19.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -105.92 124.27 36.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 13' ' ' ILE . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD21 ' HE ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' HD22 ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 131' ' ' ILE . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' O ' HD11 ' A' ' 46' ' ' LEU . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 31.9 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 57' ' ' VAL . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.767 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.561 HG23 HD23 ' A' ' 68' ' ' LEU . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.824 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.595 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 -51.53 159.91 1.12 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.69 150.18 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.01 107.9 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.66 45.26 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -142.76 105.04 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 91' ' ' ILE . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.824 HG23 HG22 ' A' ' 75' ' ' VAL . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD11 HD22 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.496 HD13 ' CG1' ' A' ' 13' ' ' ILE . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HE ' HD21 ' A' ' 15' ' ' LEU . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.502 ' CD1' HG11 ' A' ' 29' ' ' VAL . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -127.23 -49.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -77.1 176.86 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -134.19 179.57 17.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.93 167.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.5 m -128.75 42.82 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 38.1 m -92.94 88.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -78.15 -49.54 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -70.06 163.8 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 -171.63 47.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -110.24 43.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -121.45 77.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.8 -177.48 31.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.84 137.77 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD22 ' OE1' ' A' ' 124' ' ' GLN . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 137' ' ' TYR . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.3 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.412 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 56' ' ' MET . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 68' ' ' LEU . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.72 HG22 HG23 ' A' ' 92' ' ' THR . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.593 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 -54.46 158.88 3.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.0 175.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -83.32 125.06 31.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.39 41.34 94.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 -128.19 102.51 6.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.72 HG23 HG22 ' A' ' 75' ' ' VAL . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 93' ' ' LEU . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.601 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' A' ' 15' ' ' LEU . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.401 ' CG ' ' HG2' ' A' ' 117' ' ' GLU . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.804 ' OE1' HD22 ' A' ' 15' ' ' LEU . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -120.92 140.19 52.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.8 p -84.72 47.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -91.22 -178.88 42.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.44 103.15 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 p -54.28 -37.67 65.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 m -93.64 45.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -140.26 144.86 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -120.72 95.9 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.91 64.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -142.59 131.85 23.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -67.99 99.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -179.72 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.43 137.53 19.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 131' ' ' ILE . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 32' ' ' THR . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.613 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 31.8 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.613 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.412 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.571 HG23 HD23 ' A' ' 68' ' ' LEU . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 92' ' ' THR . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.434 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 -51.08 158.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.8 Cg_endo -68.1 153.9 73.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -56.52 151.6 13.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.72 43.17 22.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 4.5 t60 -134.91 93.58 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.502 HG21 ' NH2' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.7 HG23 HG22 ' A' ' 75' ' ' VAL . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 104' ' ' LEU . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ASP . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.502 ' NH2' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.583 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.503 HG12 HG11 ' A' ' 29' ' ' VAL . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.795 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -117.65 -55.05 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 p -148.24 168.47 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.92 153.32 24.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.65 -46.63 14.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -96.78 -61.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 19.5 m 52.66 42.69 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -62.05 99.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -73.18 -57.03 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 134.64 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -156.53 163.01 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -71.51 102.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.45 -177.01 19.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -104.66 138.59 19.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG22 ' CE2' ' A' ' 135' ' ' PHE . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' H ' ' A' ' 46' ' ' LEU . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.1 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' VAL . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 36' ' ' VAL . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.826 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.525 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.826 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.525 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 HD23 ' A' ' 68' ' ' LEU . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.569 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 -53.93 156.31 5.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.06 140.3 32.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -55.86 118.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.71 44.74 11.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 -135.73 106.73 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.456 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.678 ' OG1' HG13 ' A' ' 75' ' ' VAL . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' ASP . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 128' ' ' PHE . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.26 -43.82 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.8 t 63.47 45.82 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.19 -151.18 28.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.47 162.02 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.733 2.289 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.7 m -129.43 93.42 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.3 p -44.57 119.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -101.97 135.82 42.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -51.34 -37.75 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.31 -67.98 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 72.39 30.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -80.87 85.06 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.45 178.48 29.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.5 139.09 19.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' HG3' ' A' ' 116' ' ' GLU . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 74' ' ' ILE . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 46' ' ' LEU . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.826 ' O ' HG23 ' A' ' 36' ' ' VAL . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 32' ' ' THR . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.74 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.4 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 36' ' ' VAL . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.787 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.565 ' OD2' ' HE1' ' A' ' 73' ' ' HIS . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.565 ' HE1' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 68' ' ' LEU . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.724 HG22 HG23 ' A' ' 92' ' ' THR . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.409 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 -54.21 158.76 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.76 155.99 5.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.37 128.88 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.41 54.35 36.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.426 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -132.91 102.8 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.724 HG23 HG22 ' A' ' 75' ' ' VAL . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.61 HD22 ' CG ' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.472 HD12 ' OE2' ' A' ' 103' ' ' GLU . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' OE2' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.61 ' CG ' HD22 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.705 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 13' ' ' ILE . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' A' ' 15' ' ' LEU . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' LYS . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 131' ' ' ILE . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.87 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -109.9 -61.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.9 m -139.19 146.26 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -130.5 176.73 18.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 -27.37 8.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.1 m -156.08 121.36 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 m -42.84 142.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -118.03 92.77 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -41.15 142.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -65.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -84.6 91.28 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -42.64 130.68 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 179.19 22.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.11 137.09 21.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' HG22 ' A' ' 13' ' ' ILE . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 131' ' ' ILE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' HD11 ' A' ' 46' ' ' LEU . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 32' ' ' THR . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.9 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' A' ' 58' ' ' ASP . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 36' ' ' VAL . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.582 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.4 m120 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.835 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 65' ' ' PHE . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.508 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.558 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.487 HG23 HD23 ' A' ' 68' ' ' LEU . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 92' ' ' THR . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.546 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 -56.36 155.07 14.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.41 156.11 8.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -66.17 141.05 58.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.63 38.08 70.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 -128.58 101.77 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.547 ' CG ' HD22 ' A' ' 93' ' ' LEU . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.606 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 124' ' ' GLN . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CE1' HD23 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.608 HD13 HG11 ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -121.15 166.38 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.8 t -72.08 115.52 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.05 13.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.65 150.38 27.65 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.7 m -116.28 133.63 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.5 p -46.09 130.96 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -53.42 131.01 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -109.58 148.41 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.48 150.29 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 14.3 m -37.45 -49.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.818 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 52.48 48.61 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.31 -175.43 54.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG21 ' NE2' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -111.95 124.0 33.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 135' ' ' PHE . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 32' ' ' THR . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 30.9 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.733 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.532 ' OD1' ' HE1' ' A' ' 73' ' ' HIS . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 ' CD2' ' A' ' 65' ' ' PHE . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.532 ' HE1' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.537 HG23 HD23 ' A' ' 68' ' ' LEU . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.792 HG22 HG23 ' A' ' 92' ' ' THR . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.7 m0 -54.03 160.16 2.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 168.38 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.53 137.12 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.41 56.44 4.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' HG21 ' A' ' 8' ' ' ILE . 49.8 t-80 -134.5 106.5 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.521 ' C ' HD12 ' A' ' 91' ' ' ILE . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 90' ' ' THR . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.792 HG23 HG22 ' A' ' 75' ' ' VAL . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 128' ' ' PHE . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.605 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.596 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.474 HD13 HG11 ' A' ' 29' ' ' VAL . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.583 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.881 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -103.47 36.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.3 m 62.37 40.46 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 65.06 -159.11 44.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.0 153.69 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.4 p -85.83 158.52 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.6 p -166.03 119.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -71.77 -12.25 61.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -87.39 166.01 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 115.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 19.6 m -141.05 154.82 46.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 m -35.76 127.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 -175.32 35.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.52 137.55 19.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' HE3' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' CD2' ' HE ' ' A' ' 120' ' ' ARG . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 131' ' ' ILE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 46' ' ' LEU . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ARG . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' THR . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.2 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' HG23 ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.708 HG23 ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' VAL . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG11 ' NE1' ' A' ' 78' ' ' TRP . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.696 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD11 ' HD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.51 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.413 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.668 HG23 HD23 ' A' ' 68' ' ' LEU . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.891 HG22 HG23 ' A' ' 92' ' ' THR . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 119' ' ' THR . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.597 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 -51.03 157.93 1.31 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.25 161.17 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.75 122.43 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.01 50.81 43.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -132.94 102.16 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.481 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.891 HG23 HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 104' ' ' LEU . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 93' ' ' LEU . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.732 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.732 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.586 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.548 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 29' ' ' VAL . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.481 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.793 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -98.38 -47.51 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -103.18 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -92.61 -160.21 35.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.12 172.06 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 m -149.08 154.97 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.7 p -98.71 105.7 17.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -97.92 93.99 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -143.2 133.14 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 119.47 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -116.72 42.74 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 136.73 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -176.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.86 137.13 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 46' ' ' LEU . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 32' ' ' THR . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 33.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.505 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.501 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 68' ' ' LEU . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.501 ' CG2' ' NE2' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.599 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.59 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 -53.5 159.73 2.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.28 -177.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -83.59 135.84 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 49.39 51.83 25.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -134.95 100.92 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.487 ' C ' HD12 ' A' ' 91' ' ' ILE . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 75' ' ' VAL . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' ILE . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.597 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.59 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.591 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 29' ' ' VAL . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.505 ' CD1' HG23 ' A' ' 131' ' ' ILE . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.938 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -132.81 -63.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -140.53 122.86 15.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -74.08 167.22 54.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.9 159.91 30.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.5 p -129.63 43.95 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.4 m -135.76 145.05 46.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -142.78 176.46 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 t -65.63 150.69 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.34 58.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -122.6 140.31 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -133.0 101.56 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.29 -178.03 42.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.97 137.64 20.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 116' ' ' GLU . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' NE ' ' A' ' 120' ' ' ARG . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 135' ' ' PHE . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' HD11 ' A' ' 46' ' ' LEU . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 32' ' ' THR . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 32.4 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.538 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 80' ' ' PHE . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.795 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.795 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.463 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.671 HG23 HD23 ' A' ' 68' ' ' LEU . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' O ' ' CD ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 -79.74 161.87 64.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.0 Cg_endo -67.1 137.39 44.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 86' ' ' GLY . 5.5 tp10 -50.61 151.26 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . 50.93 41.2 44.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 8.9 t60 -139.52 103.77 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.525 HD22 HD21 ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.591 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.733 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.733 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 13' ' ' ILE . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.422 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD21 ' A' ' 15' ' ' LEU . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 127' ' ' TYR . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.711 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -92.69 124.14 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.6 m -71.23 113.84 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.49 -157.8 8.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.77 141.51 8.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.8 m -89.5 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -79.59 117.58 20.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -81.53 132.64 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -82.36 152.43 26.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 -83.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -92.37 177.05 6.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -102.62 141.83 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 179.97 16.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.97 137.33 19.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.74 HG12 HD13 ' A' ' 111' ' ' ILE . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD22 ' NE2' ' A' ' 124' ' ' GLN . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 32' ' ' THR . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.661 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.6 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 36' ' ' VAL . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.661 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.41 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 56' ' ' MET . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.734 ' HD2' HD11 ' A' ' 68' ' ' LEU . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD11 ' HD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' NE2' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.685 HG23 HD23 ' A' ' 68' ' ' LEU . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 92' ' ' THR . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.473 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 -57.15 157.79 11.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.76 164.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.48 127.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.97 42.92 96.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -132.61 100.23 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.584 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.584 HD12 ' C ' ' A' ' 90' ' ' THR . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.748 HG23 HG22 ' A' ' 75' ' ' VAL . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 104' ' ' LEU . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.467 HD12 ' HB3' ' A' ' 103' ' ' GLU . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HB3' HD12 ' A' ' 96' ' ' ILE . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.6 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.74 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.596 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.585 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.792 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -113.75 -46.37 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.6 p -163.36 158.24 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.76 164.79 24.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.18 122.24 6.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.4 t -50.6 98.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.3 t -108.02 98.69 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -108.88 118.29 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -174.63 164.64 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.01 150.63 6.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -169.89 147.01 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -56.61 119.15 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.01 -178.33 42.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.02 138.13 19.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 13' ' ' ILE . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 124' ' ' GLN . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 36' ' ' VAL . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 32' ' ' THR . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 34.8 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.452 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 68' ' ' LEU . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.875 HG22 HG23 ' A' ' 92' ' ' THR . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.632 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.591 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.5 m0 -56.22 157.26 9.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.27 173.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.91 130.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.09 38.31 95.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -128.62 99.49 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.418 ' C ' HD12 ' A' ' 91' ' ' ILE . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.875 HG23 HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 106' ' ' MET . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.489 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 127' ' ' TYR . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.856 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -125.89 -50.23 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.3 t -168.83 117.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -177.59 157.92 22.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.03 115.34 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.5 m -95.37 126.12 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.6 p -77.25 -45.92 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -91.4 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 p -100.42 171.71 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 43.55 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -139.75 132.25 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.9 t -35.75 119.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -179.16 28.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.43 139.15 20.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 111' ' ' ILE . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' A' ' 135' ' ' PHE . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 46' ' ' LEU . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 35.6 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.53 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.456 ' NE2' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG23 HD23 ' A' ' 68' ' ' LEU . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.502 HG22 HG23 ' A' ' 92' ' ' THR . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.759 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 -53.64 160.0 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 39.9 Cg_endo -64.66 140.89 70.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 86' ' ' GLY . 17.0 tt0 -53.36 149.3 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' A' ' 85' ' ' GLU . . . 55.78 36.03 64.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.9 t60 -135.29 102.73 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG22 ' A' ' 75' ' ' VAL . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 13' ' ' ILE . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.615 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' N ' ' CD1' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 127' ' ' TYR . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.494 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.494 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -110.6 -42.36 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.2 t -158.37 113.24 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -127.59 -172.96 13.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.81 -170.58 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.634 2.222 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.0 t -141.67 154.41 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 m -78.45 149.9 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.41 HG22 ' HG ' ' A' ' 15' ' ' LEU . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD13 ' HG3' ' A' ' 124' ' ' GLN . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 131' ' ' ILE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HD11 ' A' ' 46' ' ' LEU . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 32' ' ' THR . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.67 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.5 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 57' ' ' VAL . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' PHE . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.506 HG23 ' CD2' ' A' ' 73' ' ' HIS . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.59 HG23 HD23 ' A' ' 68' ' ' LEU . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.598 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.6 m0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 75' ' ' VAL . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 104' ' ' LEU . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' ASP . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.592 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.666 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.538 ' CD1' HG11 ' A' ' 29' ' ' VAL . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.505 HG22 ' HE3' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.833 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 131' ' ' ILE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HD11 ' A' ' 46' ' ' LEU . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HB ' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 32' ' ' THR . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.783 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.4 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' VAL . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 57' ' ' VAL . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 73' ' ' HIS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.533 HG23 HD23 ' A' ' 68' ' ' LEU . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 11.4 m0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.516 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.516 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 106' ' ' MET . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 103' ' ' GLU . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.677 ' HB3' HD12 ' A' ' 96' ' ' ILE . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' ' 93' ' ' LEU . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.64 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.582 HD13 HG11 ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.586 ' CG2' HD11 ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.703 HD21 ' NE ' ' A' ' 120' ' ' ARG . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.937 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.613 ' O ' HD11 ' A' ' 46' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.874 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.5 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 57' ' ' VAL . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.857 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 65' ' ' PHE . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.683 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 HD23 ' A' ' 68' ' ' LEU . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.637 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.541 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 75' ' ' VAL . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 103' ' ' GLU . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 96' ' ' ILE . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 93' ' ' LEU . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 119' ' ' THR . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.506 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.46 HG21 HG12 ' A' ' 111' ' ' ILE . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.703 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 127' ' ' TYR . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.937 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.997 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 74' ' ' ILE . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 131' ' ' ILE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 46' ' ' LEU . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 32' ' ' THR . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 18.1 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 57' ' ' VAL . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.842 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.842 HD21 ' CD2' ' A' ' 65' ' ' PHE . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.587 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 92' ' ' THR . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 18.0 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.534 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.668 HG23 HG22 ' A' ' 75' ' ' VAL . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' ILE . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.589 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 HG12 ' A' ' 13' ' ' ILE . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 135' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CD1' HG23 ' A' ' 131' ' ' ILE . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.997 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD22 ' NE2' ' A' ' 124' ' ' GLN . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 74' ' ' ILE . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' CE2' ' A' ' 135' ' ' PHE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' O ' HD11 ' A' ' 46' ' ' LEU . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.0 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.717 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 57' ' ' VAL . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 80' ' ' PHE . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.769 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' CD2' ' A' ' 65' ' ' PHE . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 HD23 ' A' ' 68' ' ' LEU . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.822 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.448 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.822 HG23 HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 97' ' ' ASP . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.598 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.606 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.73 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.73 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 13' ' ' ILE . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.58 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.409 HG12 HG11 ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.479 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.479 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.913 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 111' ' ' ILE . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.569 HG22 ' HE3' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.989 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HE1' ' A' ' 30' ' ' PHE . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 131' ' ' ILE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.8 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.685 ' CE1' HG23 ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.674 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD13 HG21 ' A' ' 36' ' ' VAL . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.578 HG23 ' CD2' ' A' ' 73' ' ' HIS . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.41 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 92' ' ' THR . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 5.0 t60 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 75' ' ' VAL . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.423 HD13 HG12 ' A' ' 13' ' ' ILE . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.727 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.727 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' HG3' ' A' ' 121' ' ' GLN . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.613 HD13 HG11 ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.989 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 ' HE3' ' A' ' 106' ' ' MET . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.803 HG23 ' HG2' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 74' ' ' ILE . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 131' ' ' ILE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' HD11 ' A' ' 46' ' ' LEU . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 32' ' ' THR . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 15.0 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.61 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' HG21 ' A' ' 36' ' ' VAL . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 57' ' ' VAL . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 65' ' ' PHE . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.722 HG23 HD23 ' A' ' 68' ' ' LEU . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 92' ' ' THR . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.49 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.575 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.548 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.815 HG23 HG22 ' A' ' 75' ' ' VAL . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 103' ' ' GLU . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 96' ' ' ILE . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.692 ' HE3' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.803 ' HG2' HG23 ' A' ' 14' ' ' THR . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.842 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.528 HD13 HG11 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.89 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 87' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 13' ' ' ILE . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD21 ' HE ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 131' ' ' ILE . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' O ' HD11 ' A' ' 46' ' ' LEU . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.3 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 57' ' ' VAL . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.767 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.767 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.684 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.561 HG23 HD23 ' A' ' 68' ' ' LEU . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.824 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.595 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 8' ' ' ILE . 12.8 t60 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 91' ' ' ILE . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.824 HG23 HG22 ' A' ' 75' ' ' VAL . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD11 HD22 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.496 HD13 ' CG1' ' A' ' 13' ' ' ILE . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HE ' HD21 ' A' ' 15' ' ' LEU . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.502 ' CD1' HG11 ' A' ' 29' ' ' VAL . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.804 HD22 ' OE1' ' A' ' 124' ' ' GLN . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 137' ' ' TYR . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.641 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.412 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 56' ' ' MET . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 68' ' ' LEU . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.72 HG22 HG23 ' A' ' 92' ' ' THR . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.593 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.72 HG23 HG22 ' A' ' 75' ' ' VAL . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 93' ' ' LEU . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.601 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' A' ' 15' ' ' LEU . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.401 ' CG ' ' HG2' ' A' ' 117' ' ' GLU . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.804 ' OE1' HD22 ' A' ' 15' ' ' LEU . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 131' ' ' ILE . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 32' ' ' THR . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.613 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.0 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.613 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.412 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.608 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.571 HG23 HD23 ' A' ' 68' ' ' LEU . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 92' ' ' THR . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.434 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 4.5 t60 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.502 HG21 ' NH2' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.7 HG23 HG22 ' A' ' 75' ' ' VAL . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 104' ' ' LEU . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ASP . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.502 ' NH2' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.583 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.503 HG12 HG11 ' A' ' 29' ' ' VAL . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.795 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.43 HG22 ' CE2' ' A' ' 135' ' ' PHE . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' H ' ' A' ' 46' ' ' LEU . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' VAL . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 36' ' ' VAL . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.826 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.826 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 73' ' ' HIS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 HD23 ' A' ' 68' ' ' LEU . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.678 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.569 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.456 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.678 ' OG1' HG13 ' A' ' 75' ' ' VAL . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' ASP . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 128' ' ' PHE . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.401 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' HG3' ' A' ' 116' ' ' GLU . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 74' ' ' ILE . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 46' ' ' LEU . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.826 ' O ' HG23 ' A' ' 36' ' ' VAL . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 32' ' ' THR . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.74 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.5 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 36' ' ' VAL . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 57' ' ' VAL . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.787 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 68' ' ' LEU . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.724 HG22 HG23 ' A' ' 92' ' ' THR . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.409 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.724 HG23 HG22 ' A' ' 75' ' ' VAL . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.61 HD22 ' CG ' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.472 HD12 ' OE2' ' A' ' 103' ' ' GLU . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.472 ' OE2' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.61 ' CG ' HD22 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.705 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 13' ' ' ILE . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' A' ' 15' ' ' LEU . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' LYS . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 131' ' ' ILE . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.87 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' HG22 ' A' ' 13' ' ' ILE . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 131' ' ' ILE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' HD11 ' A' ' 46' ' ' LEU . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 32' ' ' THR . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.8 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' A' ' 58' ' ' ASP . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 36' ' ' VAL . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.582 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.432 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.6 m-80 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.835 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 65' ' ' PHE . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.508 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.487 HG23 HD23 ' A' ' 68' ' ' LEU . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 92' ' ' THR . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.546 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.547 ' CG ' HD22 ' A' ' 93' ' ' LEU . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.606 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 124' ' ' GLN . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.608 HD13 HG11 ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.615 HG21 ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 135' ' ' PHE . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 32' ' ' THR . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 17.3 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.612 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 57' ' ' VAL . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.733 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 ' CD2' ' A' ' 65' ' ' PHE . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.537 HG23 HD23 ' A' ' 68' ' ' LEU . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.792 HG22 HG23 ' A' ' 92' ' ' THR . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.7 m0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 8' ' ' ILE . 8.6 t60 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.521 ' C ' HD12 ' A' ' 91' ' ' ILE . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 90' ' ' THR . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.792 HG23 HG22 ' A' ' 75' ' ' VAL . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 128' ' ' PHE . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.605 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.596 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.474 HD13 HG11 ' A' ' 29' ' ' VAL . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.583 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.881 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' HE3' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' CD2' ' HE ' ' A' ' 120' ' ' ARG . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 131' ' ' ILE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 46' ' ' LEU . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ARG . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' THR . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.5 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 57' ' ' VAL . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG11 ' NE1' ' A' ' 78' ' ' TRP . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.696 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.696 HD11 ' HD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.613 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.668 HG23 HD23 ' A' ' 68' ' ' LEU . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.891 HG22 HG23 ' A' ' 92' ' ' THR . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 119' ' ' THR . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.597 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.481 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.891 HG23 HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 104' ' ' LEU . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 93' ' ' LEU . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.732 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.732 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.586 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 29' ' ' VAL . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.481 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.793 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 46' ' ' LEU . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 32' ' ' THR . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 13.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 73' ' ' HIS . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 68' ' ' LEU . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.599 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.59 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.487 ' C ' HD12 ' A' ' 91' ' ' ILE . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 75' ' ' VAL . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' ILE . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.597 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.59 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.591 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 29' ' ' VAL . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.505 ' CD1' HG23 ' A' ' 131' ' ' ILE . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.938 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 116' ' ' GLU . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' NE ' ' A' ' 120' ' ' ARG . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 135' ' ' PHE . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' HD11 ' A' ' 46' ' ' LEU . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 32' ' ' THR . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.1 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.538 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 57' ' ' VAL . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 80' ' ' PHE . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.795 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.795 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' CD2' ' A' ' 73' ' ' HIS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.663 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.671 HG23 HD23 ' A' ' 68' ' ' LEU . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.525 HD22 HD21 ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.591 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.733 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.733 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 13' ' ' ILE . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.422 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD21 ' A' ' 15' ' ' LEU . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 127' ' ' TYR . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.711 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.74 HG12 HD13 ' A' ' 111' ' ' ILE . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD22 ' NE2' ' A' ' 124' ' ' GLN . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 32' ' ' THR . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.661 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.7 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 36' ' ' VAL . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.661 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.41 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 56' ' ' MET . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.442 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.734 ' HD2' HD11 ' A' ' 68' ' ' LEU . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.734 HD11 ' HD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.6 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.685 HG23 HD23 ' A' ' 68' ' ' LEU . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 92' ' ' THR . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.473 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.584 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.584 HD12 ' C ' ' A' ' 90' ' ' THR . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.748 HG23 HG22 ' A' ' 75' ' ' VAL . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 104' ' ' LEU . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.467 HD12 ' HB3' ' A' ' 103' ' ' GLU . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HB3' HD12 ' A' ' 96' ' ' ILE . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.6 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.74 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.596 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.585 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.792 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 13' ' ' ILE . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 124' ' ' GLN . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 36' ' ' VAL . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 32' ' ' THR . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.729 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.9 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.578 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.653 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 68' ' ' LEU . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.875 HG22 HG23 ' A' ' 92' ' ' THR . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.632 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.591 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.5 m0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.418 ' C ' HD12 ' A' ' 91' ' ' ILE . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.875 HG23 HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 106' ' ' MET . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.489 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 127' ' ' TYR . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.856 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 111' ' ' ILE . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' A' ' 135' ' ' PHE . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 46' ' ' LEU . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 13.4 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.686 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.551 HG23 ' CD2' ' A' ' 73' ' ' HIS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.656 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.475 HG23 HD23 ' A' ' 68' ' ' LEU . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.656 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.759 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.599 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 5.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG22 ' A' ' 75' ' ' VAL . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 13' ' ' ILE . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.615 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 127' ' ' TYR . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.494 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.494 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -88.27 -43.7 11.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -81.24 140.04 35.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.92 120.29 4.77 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 m -141.17 135.46 30.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -84.99 157.4 20.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.32 -176.44 52.8 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -106.79 137.59 19.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 111.13 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.07 150.01 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -141.48 175.05 9.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.36 -177.95 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -117.53 135.6 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.41 HG22 ' HG ' ' A' ' 15' ' ' LEU . 54.5 mt -114.06 84.53 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 101.62 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD13 ' HG3' ' A' ' 124' ' ' GLN . 7.3 mt -112.22 124.59 52.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -122.74 100.94 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -124.12 156.78 36.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.4 m -107.37 151.25 25.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -123.61 142.64 50.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.55 39.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 t -144.57 163.39 34.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.5 m -78.04 152.67 79.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.673 0.749 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.97 -58.92 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.1 tt0 -44.68 -37.57 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.78 -68.97 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.5 tp -57.13 -21.53 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -62.42 -14.7 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.4 mtp180 -98.57 -49.97 4.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.538 HG11 ' CD1' ' A' ' 131' ' ' ILE . 71.6 t -46.39 -21.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' O ' HD11 ' A' ' 46' ' ' LEU . 18.6 m-85 -105.15 -19.93 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 28' ' ' ARG . 29.6 p -114.73 19.13 16.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.1 m -135.98 105.86 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -42.48 -63.1 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -40.98 -62.53 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.9 mt -48.66 -32.91 9.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 32' ' ' THR . 17.4 t -70.47 -47.51 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.67 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.5 mt-30 -65.46 -3.73 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.84 -49.34 6.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.678 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.98 -6.78 58.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 77.1 p -108.84 -17.53 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 40.87 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.05 152.26 36.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.573 0.701 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.02 92.43 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.67 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.78 139.6 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -126.82 99.74 5.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -106.38 140.18 39.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -131.93 96.42 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.2 95.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -174.78 145.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -59.8 97.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.35 -3.46 29.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.51 178.36 2.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -121.32 126.45 49.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.8 p90 -115.8 116.91 28.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.1 137.65 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 176.96 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 57' ' ' VAL . 18.9 t 64.22 38.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 66.53 37.35 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 74.66 29.05 62.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.484 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 81' ' ' LYS . 10.4 m-80 -100.01 -25.34 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' CD1' ' A' ' 80' ' ' PHE . 72.5 t -126.01 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 p -122.18 177.27 5.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.813 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.32 -164.29 31.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.2 pt-20 -151.5 134.46 15.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.807 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.01 123.57 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.2 p -103.68 -38.76 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -139.5 144.36 37.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.807 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -143.71 107.13 4.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG23 ' CD2' ' A' ' 73' ' ' HIS . 15.8 t -108.62 138.88 20.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.1 Cg_exo -47.99 111.69 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 30.8 mt-10 30.33 48.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.0 mtpp -126.29 -59.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.674 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.84 162.86 21.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.59 HG23 HD23 ' A' ' 68' ' ' LEU . 66.4 mt -140.46 128.11 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.674 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.8 t -117.57 118.99 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -148.28 177.02 9.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.2 mtmt -94.53 155.5 16.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 6.7 t90 -142.04 134.07 27.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.598 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.4 ptm180 -164.69 172.23 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.0 m-85 -107.0 166.57 10.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -76.51 -2.7 33.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -117.07 10.41 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.6 m0 -81.85 154.97 70.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.542 0.686 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -50.85 176.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -78.24 139.48 38.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.28 47.21 21.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 7.5 t60 -131.47 97.23 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.7 m-85 -119.7 173.77 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.2 130.87 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.8 m -77.29 105.12 8.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -106.74 127.52 62.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.586 ' OG1' HG13 ' A' ' 75' ' ' VAL . 26.7 m -122.97 99.42 6.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 104' ' ' LEU . 50.1 mt -83.99 159.47 21.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.38 131.83 17.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -105.07 122.79 46.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 97' ' ' ASP . 31.4 mt -114.62 154.8 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -103.39 129.42 50.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -123.94 14.12 9.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.32 49.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.07 -31.74 2.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -124.38 168.59 12.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.7 m -132.0 123.99 28.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -91.62 104.18 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.512 HD23 ' CE1' ' A' ' 128' ' ' PHE . 21.1 tp -85.04 103.99 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.4 t -93.11 95.71 9.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.592 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.3 tmm? -87.13 136.06 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.495 ' N ' ' SD ' ' A' ' 106' ' ' MET . 10.9 tt0 -135.0 97.81 3.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -106.45 129.85 9.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -135.95 114.55 11.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.89 0.376 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.72 11.26 2.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.7 mp -77.89 123.5 86.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.3 Cg_exo -47.98 120.81 5.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.612 2.208 . . . . 0.0 112.356 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.666 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.07 -47.44 55.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -55.35 -33.77 86.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.605 2.204 . . . . 0.0 112.391 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -108.06 3.0 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 112' ' ' PRO . 71.4 tt0 -47.83 -66.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.09 -58.91 4.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.5 ttt85 -46.43 -45.94 18.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.6 m -53.88 -70.31 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.415 ' HG3' HD21 ' A' ' 15' ' ' LEU . 38.8 ttt-85 -50.49 -38.99 47.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -58.73 -44.95 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.577 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.31 28.32 13.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.804 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -93.28 -67.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.756 0.313 . . . . 0.0 110.908 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.584 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -70.61 -31.72 68.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -45.22 -27.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.577 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -116.49 -36.05 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.804 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.6 m-85 -63.15 -66.74 0.5 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.584 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.35 -67.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 54.6 mm-40 -34.83 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.94 -48.18 8.75 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.459 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.538 ' CD1' HG11 ' A' ' 29' ' ' VAL . 77.1 mt -71.02 -55.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 131' ' ' ILE . 36.6 mttt -36.17 -40.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -91.22 -50.61 5.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 46.0 m -51.09 -63.15 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.163 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.1 m-85 -83.48 -17.04 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.37 32.83 21.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.8 m-30 -95.95 28.5 3.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.937 0.398 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.35 156.65 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -106.97 -175.09 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.3 p -135.72 163.44 30.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 75.04 157.9 6.27 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.18 136.94 18.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.6 m -125.25 165.63 17.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 20.6 t -99.83 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -155.84 140.75 17.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -121.19 143.08 49.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.97 99.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -83.81 50.61 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -115.84 83.19 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.97 -176.38 27.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.01 137.26 19.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.77 148.8 22.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -140.99 178.03 7.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.155 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.43 176.92 11.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -101.86 137.45 40.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.505 HG22 ' HE3' ' A' ' 106' ' ' MET . 47.7 mm -119.61 72.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -91.1 111.47 22.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -120.23 127.35 52.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -117.79 104.99 11.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -120.75 151.87 39.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -103.56 132.52 49.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.59 141.48 39.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.833 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.76 38.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.6 t -142.81 168.66 19.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -81.62 154.39 71.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.685 0.755 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -60.82 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.665 2.244 . . . . 0.0 112.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -46.11 -37.22 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.55 -68.3 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.9 -24.16 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -60.7 -14.76 22.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.3 mtp180 -97.59 -49.81 4.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG11 HD13 ' A' ' 131' ' ' ILE . 79.4 t -46.76 -20.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.401 ' O ' HD11 ' A' ' 46' ' ' LEU . 53.8 m-85 -106.23 -20.97 13.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' ARG . 33.6 p -113.8 17.31 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -132.64 109.35 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 45' ' ' THR . 54.5 tt0 -46.13 -63.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -40.35 -63.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD12 ' HB ' ' A' ' 32' ' ' THR . 44.8 mt -48.02 -33.84 8.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 32' ' ' THR . 18.1 t -69.53 -42.77 80.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.783 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.4 mt-30 -70.91 -3.46 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.89 -51.62 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.5 p90 -83.85 -8.65 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' VAL . 40.2 p -102.37 -23.64 13.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 47.8 42.76 16.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -159.28 152.81 18.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.556 0.693 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.95 93.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.365 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.783 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.02 140.48 49.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.446 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 26.1 m -127.44 99.82 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -107.41 139.68 41.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.13 96.26 3.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.73 95.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -174.98 146.26 0.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm105 -59.87 98.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.65 -5.27 31.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.18 174.92 4.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -118.45 134.06 55.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.8 p90 -121.92 117.25 25.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.65 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.08 136.88 53.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.05 177.35 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 57' ' ' VAL . 12.5 t 62.31 46.79 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 61.63 28.34 17.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.65 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 30.72 33.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.459 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.22 -18.63 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 78' ' ' TRP . 99.2 t -130.03 116.06 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -123.09 175.36 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.566 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -178.83 -163.28 29.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.432 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.0 pt-20 -152.94 136.9 16.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.34 125.23 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -107.54 -33.5 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -143.26 142.77 31.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.2 107.34 4.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.564 HG23 ' CD2' ' A' ' 73' ' ' HIS . 18.5 t -109.12 138.91 20.54 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.654 0.74 . . . . 0.0 111.1 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -47.96 112.09 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 30.24 48.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.5 mtpp -126.25 -58.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.5 163.22 22.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.533 HG23 HD23 ' A' ' 68' ' ' LEU . 70.4 mt -139.57 126.85 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 8.5 t -117.19 120.16 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.87 171.69 16.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.4 mtmt -92.12 151.63 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.2 t90 -137.42 140.51 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -168.82 168.17 10.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.3 m-85 -100.86 166.71 10.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.24 -2.04 35.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 t -120.33 14.91 12.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 11.4 m0 -83.11 157.5 65.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.571 0.701 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.91 163.48 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -67.48 134.32 51.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.03 56.23 22.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -142.28 105.1 4.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.4 m-85 -126.02 174.23 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.91 133.86 52.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.516 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.2 m -78.16 116.2 18.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.516 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -118.76 126.09 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 96.4 m -123.0 99.48 6.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.177 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 106' ' ' MET . 63.5 mt -85.75 152.84 22.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.94 133.69 30.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -105.55 122.7 46.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' A' ' 103' ' ' GLU . 35.9 mt -113.58 154.14 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.8 t70 -101.08 128.85 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -125.37 13.1 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.03 51.12 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.62 -30.97 2.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.462 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -127.24 159.88 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -121.17 127.95 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.677 ' HB3' HD12 ' A' ' 96' ' ' ILE . 22.3 tt0 -91.75 101.68 14.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' ' 93' ' ' LEU . 25.7 tp -85.3 106.23 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -98.32 93.58 6.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.588 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 4.5 tmm? -82.98 138.28 33.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -134.6 97.8 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.84 134.49 11.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.4 ptt180 -141.17 112.04 7.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.05 6.05 4.56 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -73.31 121.31 84.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.624 0.726 . . . . 0.0 111.111 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.605 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.9 Cg_exo -48.05 122.51 7.42 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.64 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.03 -46.66 65.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.55 0.69 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.64 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.9 Cg_exo -56.56 -19.11 28.36 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.6 mm-40 -115.89 -16.67 11.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLU . 60.3 tt0 -33.95 -46.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -66.34 -64.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -43.67 -49.56 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 123' ' ' TRP . 0.7 OUTLIER -49.06 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -52.77 -25.84 12.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -76.96 -24.49 52.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -125.94 15.12 7.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 127' ' ' TYR . 1.3 t90 -86.09 -67.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 110.926 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.574 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.9 mt-30 -66.4 -37.17 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -44.74 -24.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.548 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.6 OUTLIER -117.85 -43.25 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CH2' ' A' ' 123' ' ' TRP . 1.4 m-85 -57.98 -66.34 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -92.79 -68.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 15.0 mt-10 -33.77 -35.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -72.81 -52.39 9.58 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.582 HD13 HG11 ' A' ' 29' ' ' VAL . 32.0 mt -69.24 -49.41 61.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -40.45 -36.16 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -97.42 -52.84 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.5 m -50.71 -54.47 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.476 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.1 m-85 -91.6 -18.73 23.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.49 45.09 7.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.1 m-30 -104.0 13.82 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.902 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -101.78 157.96 18.6 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.833 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -112.48 75.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.2 p -39.76 141.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -144.63 173.59 25.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -46.6 -48.51 13.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -124.7 170.66 10.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.9 t -97.28 85.62 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -127.23 129.83 48.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m 48.04 41.53 15.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.87 -70.11 0.42 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -104.65 137.47 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -83.37 119.29 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.54 -177.4 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.73 137.08 19.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.88 149.72 20.58 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.7 p -140.95 178.68 7.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -151.78 -177.93 6.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -113.43 141.63 46.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.586 ' CG2' HD11 ' A' ' 15' ' ' LEU . 64.5 mt -119.05 85.12 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.99 100.93 13.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.703 HD21 ' NE ' ' A' ' 120' ' ' ARG . 1.5 mt -121.13 121.44 37.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 16' ' ' LYS . 7.0 ptpt -140.94 117.61 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -126.49 167.04 16.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.1 m -95.79 120.72 36.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -97.96 139.73 33.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.937 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.7 mm? -81.25 39.5 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 137' ' ' TYR . 6.9 t -141.75 175.31 9.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' C ' ' OG1' ' A' ' 102' ' ' THR . 5.7 m -91.85 153.86 43.66 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.686 0.755 . . . . 0.0 110.828 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' N ' ' OG1' ' A' ' 102' ' ' THR . 65.0 Cg_exo -48.05 -62.33 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.67 -37.93 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.57 -69.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.3 tp -56.68 -24.14 46.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -60.22 -17.56 42.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.0 mtp180 -96.02 -51.8 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' CE2' ' A' ' 135' ' ' PHE . 42.0 t -44.87 -21.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.613 ' O ' HD11 ' A' ' 46' ' ' LEU . 30.8 m-85 -103.01 -25.57 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.8 p -111.39 22.17 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.874 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.8 m -136.1 109.87 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.1 tt0 -47.82 -58.33 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -45.89 -59.83 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 53.6 mt -50.37 -33.86 21.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -69.04 -47.33 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.5 mt-30 -66.32 -3.9 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.62 -40.97 12.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.2 p90 -97.01 -10.57 25.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.4 p -102.43 -19.8 14.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.164 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 43.28 41.67 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.64 151.86 23.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.95 91.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.04 134.86 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 56.9 m -120.4 99.73 6.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.5 tt -107.83 139.07 42.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -132.23 96.54 3.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.22 95.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -174.5 146.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -59.62 98.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.01 -3.8 31.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.2 174.0 6.21 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.425 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.39 130.22 55.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.562 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 18.0 p90 -118.1 116.36 26.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.07 137.35 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.79 176.95 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 57' ' ' VAL . 11.7 t 61.63 48.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 t70 60.46 25.11 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.39 28.47 30.09 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -98.18 -18.1 18.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.637 HG11 ' CE2' ' A' ' 78' ' ' TRP . 63.4 t -131.53 116.28 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.3 p -123.41 177.67 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.8 -163.34 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 8.0 pt-20 -153.13 134.67 14.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.857 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.24 121.63 23.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.5 p -102.98 -34.68 8.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -143.49 144.23 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.857 HD21 ' CD2' ' A' ' 65' ' ' PHE . 78.5 mt -144.25 110.16 5.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.5 t -110.59 138.62 21.06 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.598 0.713 . . . . 0.0 111.133 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.5 Cg_exo -47.93 113.18 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 70' ' ' PRO . 47.8 mt-10 28.69 48.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.529 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -126.85 -58.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.683 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.97 163.52 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.474 HG23 HD23 ' A' ' 68' ' ' LEU . 78.5 mt -138.32 129.59 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 3.9 t -119.54 119.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -150.42 177.85 9.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 40.1 mtmt -99.8 152.32 20.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.637 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.6 t90 -137.06 146.56 45.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -174.43 169.42 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.541 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.1 m-85 -102.08 166.06 10.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -77.76 -5.1 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.3 t -110.21 -16.84 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.2 m0 -54.24 158.09 4.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -52.88 171.87 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.338 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.82 129.06 34.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.25 44.32 95.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -131.51 101.5 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 12.2 m-85 -123.21 169.19 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.19 131.88 55.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 20.8 m -76.86 106.34 8.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -107.67 137.19 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.658 HG23 HG22 ' A' ' 75' ' ' VAL . 65.2 m -133.63 100.67 4.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.695 HD22 HD11 ' A' ' 104' ' ' LEU . 36.9 mt -83.17 156.92 22.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 m -144.82 130.6 19.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.8 m-85 -103.03 129.26 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 103' ' ' GLU . 41.1 mt -117.21 151.82 19.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.158 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 97' ' ' ASP . 0.1 OUTLIER -101.24 128.23 47.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -125.19 13.84 8.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.66 48.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.0 -35.39 1.77 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 16.5 mt-10 -123.62 143.91 49.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 23' ' ' PRO . 95.4 m -107.76 122.05 45.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.568 ' HB3' HD12 ' A' ' 96' ' ' ILE . 7.6 tt0 -91.65 101.46 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 93' ' ' LEU . 16.6 tp -85.51 103.74 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 48.9 t -94.88 103.74 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -91.01 136.79 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' N ' ' SD ' ' A' ' 106' ' ' MET . 4.9 tt0 -135.01 97.56 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.37 137.88 14.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -140.12 117.57 11.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.76 8.77 3.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 119' ' ' THR . 2.6 mp -75.86 128.08 84.15 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.728 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.0 Cg_exo -47.99 127.48 14.87 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.703 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -53.39 -48.8 91.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 34.1 Cg_exo -61.24 -36.54 79.43 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.335 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.506 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 1.7 mp0 -97.02 0.44 48.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 112' ' ' PRO . 64.6 tt0 -47.08 -61.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -49.96 -69.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.24 -47.76 3.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.46 HG21 HG12 ' A' ' 111' ' ' ILE . 96.2 m -49.82 -70.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.703 ' NE ' HD21 ' A' ' 15' ' ' LEU . 10.4 ttt180 -49.2 -44.68 43.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -53.18 -48.35 68.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -97.2 14.62 63.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.799 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -86.76 -67.85 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.713 0.292 . . . . 0.0 110.873 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.538 ' OE1' HD13 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -73.28 -33.51 65.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -44.35 -24.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -118.92 -36.97 3.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.799 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 1.5 m-85 -62.94 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.2 m-30 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 128' ' ' PHE . 10.7 mt-10 -34.65 -31.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.5 -67.97 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 127' ' ' TYR . 70.6 mt -48.89 -43.79 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -51.6 -27.33 10.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -100.05 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 59.7 m -51.38 -56.46 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' A' ' 29' ' ' VAL . 4.0 m-85 -86.64 -24.08 25.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.41 38.42 9.88 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -96.93 22.36 8.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 0.0 110.886 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.77 154.58 16.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.937 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -103.69 148.7 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.9 m -96.46 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -139.58 165.09 25.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 143' ' ' SER . 71.5 Cg_exo -46.26 115.12 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.711 2.274 . . . . 0.0 112.3 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 142' ' ' PRO . 13.3 t 34.38 44.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 21.8 m -158.64 141.62 14.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -163.44 147.43 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -59.73 -49.97 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.29 73.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -73.92 140.38 45.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -64.98 -60.36 3.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.29 -178.31 35.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.34 137.23 19.36 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.17 147.24 18.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.5 p -138.1 176.45 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -150.54 -179.12 6.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 2.2 ttpm? -104.95 148.43 26.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.53 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.2 mm -130.04 70.88 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 4.7 m -86.73 114.75 23.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -123.06 136.46 54.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -129.65 106.96 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -124.29 154.6 40.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 m -105.38 135.16 47.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -112.08 140.09 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.997 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.64 39.25 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.544 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 1.7 t -142.67 166.34 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.1 m -81.49 150.5 67.1 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.98 -61.84 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.373 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 2.8 tt0 -40.75 -37.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.55 -68.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 tp -55.41 -21.75 17.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' A' ' 74' ' ' ILE . 15.8 t80 -63.4 -15.03 56.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -98.32 -50.07 4.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.507 HG11 HD13 ' A' ' 131' ' ' ILE . 97.6 t -44.53 -21.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.655 ' O ' HD11 ' A' ' 46' ' ' LEU . 39.5 m-85 -104.23 -25.2 12.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 28' ' ' ARG . 27.0 p -110.55 23.48 14.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.787 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.0 m -139.5 106.5 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 58.3 tt0 -43.55 -64.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.74 -62.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 57.7 mt -47.55 -35.94 9.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 32' ' ' THR . 21.7 t -66.36 -46.99 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 18.1 mt-30 -66.57 -4.32 8.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.88 -41.02 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -97.3 -8.45 29.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 72.8 p -106.0 -18.46 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 41.08 42.68 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.02 152.13 24.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.04 90.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.9 139.36 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 99.7 m -126.07 100.13 6.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.655 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.56 139.87 41.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -131.79 97.11 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.6 96.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -174.81 146.76 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -60.31 98.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.64 -5.47 31.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.86 178.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -121.77 133.06 54.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.318 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.7 p90 -120.9 115.53 23.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.657 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.31 138.15 51.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.77 177.07 9.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 57' ' ' VAL . 14.3 t 60.95 49.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.43 25.04 14.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.657 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.22 28.37 30.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -97.49 -20.43 17.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 85.0 t -128.78 115.8 38.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.0 p -123.76 176.79 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -180.0 -162.83 29.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.506 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.0 pt-20 -152.32 138.5 18.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.842 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -79.93 122.46 26.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.6 p -104.11 -33.85 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -143.88 143.69 31.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.842 HD21 ' CD2' ' A' ' 65' ' ' PHE . 67.1 mt -144.25 109.74 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 70' ' ' PRO . 15.5 t -112.56 138.81 22.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 66.2 Cg_exo -48.08 112.53 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.3 mt-10 29.99 47.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.499 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 13.6 mttp -125.34 -58.8 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.96 162.19 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.587 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -141.04 128.12 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.668 HG22 HG23 ' A' ' 92' ' ' THR . 6.5 t -117.72 120.85 65.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.64 173.37 13.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 39.3 mtmt -93.15 151.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.6 t90 -138.48 141.87 39.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.3 ptm180 -171.44 165.85 6.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.598 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.5 m-85 -101.58 161.09 13.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -72.55 -1.17 14.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 89.7 p -118.5 12.2 13.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.6 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 18.0 m0 -83.54 156.72 65.26 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.525 0.679 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_exo -53.02 168.17 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.83 140.56 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.58 53.81 6.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 6.2 t60 -134.54 97.52 3.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.34 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 16.7 m-85 -118.99 170.34 9.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.17 133.07 54.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.534 ' C ' HD12 ' A' ' 91' ' ' ILE . 10.7 m -78.33 110.85 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.123 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.09 124.57 68.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.668 HG23 HG22 ' A' ' 75' ' ' VAL . 83.2 m -119.55 99.84 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.6 mt -85.12 157.86 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.44 135.97 25.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -106.87 121.15 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.9 mt -113.35 153.2 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.4 OUTLIER -105.03 128.66 53.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -123.02 13.59 9.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t30 73.45 49.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.98 -29.77 2.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -125.71 167.01 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.8 m -132.29 121.72 24.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.405 ' HB3' HD12 ' A' ' 96' ' ' ILE . 5.2 tt0 -91.6 106.59 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.2 tp -86.14 107.24 17.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.8 t -96.82 93.99 6.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.589 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.6 tmm? -84.65 137.6 33.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -133.31 97.73 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -102.74 136.56 12.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptt85 -141.1 109.37 5.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.8 7.59 2.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.478 HD13 HG12 ' A' ' 13' ' ' ILE . 2.5 mp -70.85 120.49 79.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.575 0.702 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.6 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.8 Cg_exo -47.93 123.45 8.6 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.631 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.35 -46.65 84.0 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.631 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -54.93 -34.44 86.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.398 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -109.48 11.8 24.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -49.11 -68.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -50.09 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -39.85 -50.61 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.0 m -51.95 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -53.91 -25.33 19.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -73.27 -37.9 66.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -112.62 26.57 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -95.42 -67.85 0.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.575 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.9 mt-30 -66.1 -31.7 72.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -49.64 -26.13 3.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -117.17 -38.53 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.3 -67.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.575 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.0 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 128' ' ' PHE . 31.2 mt-10 -34.75 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.67 -46.49 14.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.588 HG23 ' CD1' ' A' ' 135' ' ' PHE . 53.8 mt -73.74 -53.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -39.4 -36.9 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -94.64 -47.79 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 34.1 m -56.28 -59.35 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.588 ' CD1' HG23 ' A' ' 131' ' ' ILE . 14.1 m-85 -84.83 -22.59 29.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.24 26.86 22.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.544 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 15.4 m-30 -91.45 31.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.407 . . . . 0.0 110.946 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.54 164.15 12.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.997 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -120.99 109.33 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 86.6 p -49.8 143.19 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -152.34 143.87 10.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.88 -49.77 13.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.303 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.9 p -125.21 139.53 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.2 m -54.91 -56.91 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.493 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -119.07 -45.03 2.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.907 0.384 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m -105.82 140.68 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.11 -151.94 8.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -65.26 -42.23 93.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.4 p -61.41 160.31 11.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.85 -179.08 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.87 138.12 20.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.645 0.736 . . . . 0.0 111.099 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -78.83 151.38 24.5 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.652 2.235 . . . . 0.0 112.352 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.3 p -144.05 178.44 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -155.03 -178.16 7.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -105.43 145.03 31.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' HG22 ' A' ' 13' ' ' ILE . 48.4 mm -124.42 73.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 m -84.96 112.61 20.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD22 ' NE2' ' A' ' 124' ' ' GLN . 7.1 mt -119.91 131.03 55.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.75 101.94 8.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -124.83 136.52 53.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.2 m -91.78 150.16 21.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -123.8 142.15 51.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.913 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.0 mm? -80.56 39.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.06 165.34 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.6 m -79.28 152.88 76.58 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -48.0 -60.84 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -41.28 -38.71 1.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.83 -69.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 tp -54.96 -23.65 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' CD1' HD11 ' A' ' 74' ' ' ILE . 13.0 t80 -61.0 -16.49 43.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.8 mtp85 -95.64 -54.18 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' CE2' ' A' ' 135' ' ' PHE . 17.7 t -43.88 -22.62 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' O ' HD11 ' A' ' 46' ' ' LEU . 48.3 m-85 -102.26 -24.12 13.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' ARG . 30.9 p -112.16 20.87 16.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.4 m -136.89 105.03 5.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -41.91 -65.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -39.55 -62.89 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 45.1 mt -46.84 -34.18 5.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 12.8 t -70.32 -47.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.717 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.0 mt-30 -65.04 -3.55 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.39 -50.34 6.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -85.51 -7.64 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.652 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.7 p -106.64 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 42.05 38.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.51 151.91 31.77 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 111.081 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.92 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.683 2.255 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.717 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.97 140.36 48.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 84.8 m -127.9 99.46 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.7 tt -106.55 141.94 37.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -133.65 95.98 3.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 96.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -174.98 147.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -60.68 96.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.36 -4.09 29.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.11 177.78 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -120.92 131.79 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 12.5 p90 -120.52 118.75 31.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.606 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -119.44 137.25 53.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.28 177.27 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 57' ' ' VAL . 20.5 t 64.23 37.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.88 41.64 3.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.606 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.79 30.25 68.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -101.92 -23.84 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.488 HG22 ' CD1' ' A' ' 80' ' ' PHE . 94.1 t -127.94 115.86 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -121.1 176.88 5.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.562 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.02 -168.37 39.15 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -148.39 139.16 22.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.926 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.769 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -80.59 126.49 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.5 p -106.75 -36.87 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -141.14 144.27 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.769 HD21 ' CD2' ' A' ' 65' ' ' PHE . 92.3 mt -144.01 106.91 4.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.569 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.7 t -108.48 138.9 20.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.663 0.744 . . . . 0.0 111.135 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.96 112.05 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.6 mt-10 30.15 49.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.4 mtpp -127.28 -59.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.632 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -162.28 162.92 28.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.505 HG23 HD23 ' A' ' 68' ' ' LEU . 62.6 mt -140.61 124.96 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.822 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -116.0 122.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -151.02 172.93 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.483 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 36.3 mtmt -92.0 151.14 20.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.448 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.2 t90 -137.25 137.65 39.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.0 ptm180 -166.97 166.57 15.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.488 ' CD1' HG22 ' A' ' 61' ' ' VAL . 1.4 m-85 -102.31 166.93 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -6.65 54.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.2 t -108.54 -19.93 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.606 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.8 m0 -50.49 158.24 1.09 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.538 0.685 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -51.66 174.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.344 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -77.18 133.41 38.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.01 50.71 50.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -131.24 100.28 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.767 0.318 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 19.7 m-85 -119.18 167.27 11.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.0 135.94 54.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.578 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.3 m -80.16 112.22 17.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.578 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -114.56 128.3 71.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.822 HG23 HG22 ' A' ' 75' ' ' VAL . 97.5 m -124.56 100.35 6.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.45 HD22 ' CG ' ' A' ' 104' ' ' LEU . 49.6 mt -84.38 154.28 22.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.21 130.41 23.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.2 m-85 -102.37 122.92 45.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 97' ' ' ASP . 43.0 mt -113.93 155.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -103.8 133.39 48.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -127.54 14.14 7.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 72.37 49.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.12 -31.16 2.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -126.81 168.24 14.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.1 m -130.18 123.14 29.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -91.66 103.72 16.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.451 HD23 ' CE1' ' A' ' 128' ' ' PHE . 16.2 tp -85.08 111.96 20.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.8 t -101.54 94.33 5.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.598 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -82.25 136.95 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.466 ' N ' ' SD ' ' A' ' 106' ' ' MET . 5.6 tt0 -134.89 97.41 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.88 128.54 9.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -129.7 111.87 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.12 5.32 3.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.6 mp -70.35 125.55 92.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.606 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.3 Cg_exo -47.96 129.76 18.63 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.73 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -56.1 -42.17 94.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.73 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -72.56 -11.17 26.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 116' ' ' GLU . 4.8 mm-40 -115.53 -9.9 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' HG3' HD11 ' A' ' 13' ' ' ILE . 56.6 tt0 -38.12 -54.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 118' ' ' ARG . 17.3 tt0 -60.57 -70.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 117' ' ' GLU . 25.9 ttt180 -37.05 -49.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.4 m -57.55 -70.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -55.42 -14.24 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -82.52 -38.22 24.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.573 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -113.92 21.88 15.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.3 t90 -88.75 -67.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.719 0.295 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.58 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 7.1 mt-30 -67.37 -31.88 72.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -48.08 -24.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.573 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -119.83 -34.2 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.71 -66.96 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.1 m-30 -93.43 -68.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.4 mm-40 -32.84 -36.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.2 -70.74 1.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.409 HG12 HG11 ' A' ' 29' ' ' VAL . 68.9 mt -46.12 -45.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.912 0.387 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.479 ' CE ' ' HA2' ' A' ' 138' ' ' GLY . 34.0 mtpt -47.78 -32.52 6.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -97.98 -55.17 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.7 m -51.36 -54.04 30.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.539 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -89.11 -22.52 22.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.35 46.35 6.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.539 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.7 m-30 -108.24 19.4 19.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.0 110.887 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.479 ' HA2' ' CE ' ' A' ' 132' ' ' LYS . . . -100.13 162.97 19.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.913 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -119.97 -47.8 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 88.7 p -109.43 162.37 14.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -103.66 -143.66 12.9 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.27 131.88 15.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.6 m -90.68 -54.12 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 71.3 m -59.06 -54.05 51.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 t -119.48 45.58 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 0.0 110.866 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.1 m -34.79 -61.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.96 59.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -133.65 174.92 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -121.96 -60.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.03 -177.76 16.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.06 137.69 19.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.161 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -78.56 149.23 23.82 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.8 p -141.34 178.43 7.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 111' ' ' ILE . 28.1 p -152.77 -178.06 6.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -108.55 140.74 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.569 HG22 ' HE3' ' A' ' 106' ' ' MET . 40.3 mm -121.43 91.56 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.53 116.85 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -123.11 123.31 40.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.49 101.12 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -121.39 139.51 53.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.2 m -97.81 140.35 32.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -116.11 142.68 46.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.989 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.76 39.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -142.36 166.12 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 p -79.61 152.22 75.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.755 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -41.2 -38.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.51 -69.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HE1' ' A' ' 30' ' ' PHE . 16.2 tp -55.13 -22.74 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.32 -17.16 52.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 32' ' ' THR . 1.6 mtt-85 -96.28 -52.16 4.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.613 HG11 HD13 ' A' ' 131' ' ' ILE . 97.2 t -45.29 -22.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.3 m-85 -102.73 -22.04 13.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . 36.8 p -114.88 20.23 15.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -134.65 105.84 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' VAL . 54.9 tt0 -42.5 -65.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -39.28 -62.31 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 39.9 mt -48.96 -33.04 10.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 32' ' ' THR . 24.9 t -70.74 -46.2 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.674 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.8 mt-30 -66.31 -3.01 5.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.65 -50.06 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.685 ' CE1' HG23 ' A' ' 40' ' ' THR . 5.4 p90 -85.51 -4.72 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' CE1' ' A' ' 39' ' ' PHE . 69.6 p -110.91 -20.96 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 43.68 36.64 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -147.02 151.39 41.25 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.548 0.69 . . . . 0.0 111.129 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.03 92.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.708 2.272 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.674 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.83 141.31 48.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.0 m -127.36 99.72 5.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD13 HG21 ' A' ' 36' ' ' VAL . 2.8 tt -108.4 139.06 43.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -130.86 95.87 3.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.42 95.94 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -174.92 146.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -59.85 98.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.23 -1.67 33.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.498 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.52 179.23 4.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 132.81 54.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.7 p90 -121.47 116.73 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.64 136.9 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.53 177.54 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 t 59.96 54.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 56.43 25.18 9.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.621 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.68 33.94 20.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -102.59 -16.15 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.921 0.391 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 78' ' ' TRP . 96.0 t -132.35 116.09 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -123.2 174.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.572 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.47 -163.81 30.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 5.7 pt-20 -152.94 138.58 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.889 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -79.94 125.25 29.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 28.8 p -105.25 -35.96 7.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.179 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -142.66 145.33 33.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.9 mt -143.96 107.64 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.578 HG23 ' CD2' ' A' ' 73' ' ' HIS . 15.5 t -107.85 138.86 20.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 110.98 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 70' ' ' PRO . 58.8 mt-10 30.37 48.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.9 mtpt -126.33 -56.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.619 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.28 163.23 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.41 HG23 HD23 ' A' ' 68' ' ' LEU . 73.8 mt -138.94 127.71 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.654 HG22 HG23 ' A' ' 92' ' ' THR . 11.5 t -118.44 118.92 59.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -148.8 171.98 15.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 37.6 mtmt -91.55 152.51 20.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.505 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.7 t90 -139.24 141.33 37.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.1 ptm180 -169.28 166.39 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -100.4 163.82 12.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -73.97 -3.86 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.943 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.9 m -109.08 -21.39 12.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.592 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 21.8 m0 -53.47 159.34 2.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 55.7 Cg_endo -69.18 146.49 63.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -53.18 152.3 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.72 37.83 43.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.0 t60 -135.0 96.77 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.3 m-85 -123.93 169.78 11.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.43 131.37 55.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.421 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.0 m -78.78 103.56 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.7 mp -104.07 134.52 45.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 75' ' ' VAL . 52.9 m -130.33 100.11 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.526 HD22 HD11 ' A' ' 104' ' ' LEU . 31.4 mt -84.77 152.97 23.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.46 133.23 28.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -103.84 122.04 44.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.8 mt -113.95 145.9 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.74 130.27 39.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -125.21 12.6 8.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t30 72.87 50.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.7 -32.97 2.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -124.24 168.3 13.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.1 m -129.79 124.41 33.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -91.79 102.93 15.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.526 HD11 HD22 ' A' ' 93' ' ' LEU . 29.7 tp -84.81 104.59 14.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 10.9 t -95.93 93.75 7.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 5.4 tmm? -80.82 136.14 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -134.77 97.74 3.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.95 131.76 10.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -131.17 115.33 16.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.01 7.51 4.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.423 HD13 HG12 ' A' ' 13' ' ' ILE . 2.8 mp -70.45 122.94 88.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.592 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.91 128.9 17.04 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.727 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -57.76 -41.18 88.92 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.563 0.696 . . . . 0.0 111.118 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.727 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.4 Cg_endo -73.94 -4.22 15.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.248 . . . . 0.0 112.354 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -126.86 -2.57 6.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -39.6 -68.14 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.417 ' C ' ' HG3' ' A' ' 121' ' ' GLN . 4.0 pt-20 -49.6 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -40.08 -42.57 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.5 m -59.54 -60.62 3.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -69.25 -14.52 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 117' ' ' GLU . 9.9 mt-30 -68.51 -34.8 76.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.571 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -130.64 35.49 2.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.517 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.6 OUTLIER -93.91 -67.75 0.84 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.716 0.293 . . . . 0.0 110.93 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.559 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.0 mt-30 -67.82 -30.21 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -50.15 -26.92 5.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.587 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -116.89 -34.48 4.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.77 -66.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.36 -67.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' PHE . 73.8 mm-40 -35.5 -33.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.32 -52.11 9.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.613 HD13 HG11 ' A' ' 29' ' ' VAL . 44.7 mt -69.67 -55.19 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.896 0.379 . . . . 0.0 111.134 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' ILE . 37.5 mttt -35.5 -39.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -94.07 -51.35 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 72.8 m -50.41 -60.58 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 2.8 m-85 -84.45 -22.15 30.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.19 33.96 9.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 10.2 m-30 -100.84 32.02 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.928 0.394 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.03 165.47 12.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.989 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -124.79 -39.76 2.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 m -165.9 176.57 7.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -93.57 176.12 36.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.85 -26.54 9.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -54.2 -50.45 67.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.7 p -126.82 113.37 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 3' ' ' SER . 83.6 p -123.17 99.64 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.865 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 2' ' ' SER . 8.6 t -35.65 -50.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.42 121.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -128.87 159.75 34.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -98.9 -54.07 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.18 -178.84 31.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -104.18 136.48 19.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -79.96 147.44 18.98 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 p -138.45 173.08 11.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -147.31 171.21 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -97.79 133.24 42.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.692 HG22 ' HE3' ' A' ' 106' ' ' MET . 50.5 mm -113.87 84.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.803 HG23 ' HG2' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -97.73 109.98 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.9 mt -119.85 123.65 44.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 103.51 10.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -120.38 142.55 49.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -94.6 146.15 24.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.1 141.58 50.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.89 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -81.3 38.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.5 t -145.76 165.27 29.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -77.75 153.84 80.81 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.95 -58.21 1.88 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -45.02 -39.09 5.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -70.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.57 -22.65 35.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 74' ' ' ILE . 14.4 t80 -62.1 -14.87 41.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.437 ' C ' HD12 ' A' ' 35' ' ' LEU . 6.8 mtp180 -98.09 -50.18 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.528 HG11 HD13 ' A' ' 131' ' ' ILE . 21.9 t -47.37 -21.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' O ' HD11 ' A' ' 46' ' ' LEU . 41.5 m-85 -103.25 -20.84 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -117.65 24.84 10.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.679 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.4 m -140.22 105.29 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 60.0 tt0 -42.37 -64.09 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -39.26 -59.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 38.7 mt -52.22 -35.2 48.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 32' ' ' THR . 41.3 t -66.69 -45.91 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 15.0 mt-30 -68.56 -4.04 13.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.72 -42.29 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.1 p90 -95.7 -8.62 34.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 52.9 p -105.49 -16.35 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 38.85 41.38 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.93 152.76 27.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.595 0.712 . . . . 0.0 111.061 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.98 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.61 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.49 138.21 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 53.9 m -125.76 100.66 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' HG21 ' A' ' 36' ' ' VAL . 2.4 tt -106.82 140.72 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -131.53 96.58 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.42 95.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -174.59 145.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 64.1 mtm-85 -59.66 98.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.71 -4.27 32.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.84 178.39 2.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -121.68 132.36 54.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 14.0 p90 -120.52 117.41 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.09 137.43 52.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.67 177.18 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 57' ' ' VAL . 9.9 t 61.85 47.34 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 61.88 25.18 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.75 26.24 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -96.65 -19.2 19.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.5 t -129.34 115.97 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.3 p -123.09 178.32 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.61 -163.41 31.85 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.433 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.5 pt-20 -153.16 138.21 17.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.738 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.3 m-30 -79.23 123.51 27.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.4 p -103.32 -38.86 7.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -140.53 144.31 35.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 65' ' ' PHE . 77.2 mt -143.83 111.42 5.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 15.4 t -113.02 138.74 22.36 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.63 0.728 . . . . 0.0 111.115 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.5 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.9 Cg_exo -48.03 111.65 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 49.8 mt-10 30.83 47.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 9.8 mttt -125.55 -58.4 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.13 162.85 17.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.722 HG23 HD23 ' A' ' 68' ' ' LEU . 59.7 mt -142.07 130.06 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.815 HG22 HG23 ' A' ' 92' ' ' THR . 13.8 t -119.42 123.01 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -151.02 170.15 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.433 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 39.2 mtmt -90.79 153.77 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.49 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.4 t90 -140.28 141.58 35.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -170.26 168.01 8.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.575 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.5 m-85 -100.09 162.88 12.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -75.87 -1.58 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -114.51 -15.62 12.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 15.5 m0 -54.13 161.69 1.79 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -53.63 160.1 5.81 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.728 2.285 . . . . 0.0 112.305 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -71.4 122.08 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.23 49.21 27.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.2 t60 -139.95 105.4 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.602 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -123.46 170.42 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.7 132.56 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.548 ' C ' HD12 ' A' ' 91' ' ' ILE . 33.7 m -79.05 114.75 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.548 HD12 ' C ' ' A' ' 90' ' ' THR . 1.7 mp -112.66 140.61 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.815 HG23 HG22 ' A' ' 75' ' ' VAL . 51.6 m -133.41 103.9 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD22 HD11 ' A' ' 104' ' ' LEU . 20.6 mt -90.3 158.87 16.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.58 130.28 17.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.21 118.61 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 103' ' ' GLU . 39.0 mt -109.44 156.28 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.9 t70 -104.41 131.26 51.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -126.67 16.82 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.58 50.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.42 -33.06 2.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -123.13 168.41 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.92 0.391 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.3 m -131.44 123.93 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 96' ' ' ILE . 35.1 tt0 -91.33 103.79 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' A' ' 128' ' ' PHE . 28.3 tp -84.45 103.0 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.2 t -89.71 93.47 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.692 ' HE3' HG22 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -84.16 134.69 34.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.803 ' HG2' HG23 ' A' ' 14' ' ' THR . 10.9 mt-10 -137.78 115.36 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.02 140.12 15.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -140.44 105.43 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.827 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 137.43 0.92 2.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.666 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -66.29 119.06 59.19 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.587 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.2 Cg_exo -47.94 121.83 6.41 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.617 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.27 -45.98 55.8 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.099 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.8 Cg_exo -55.23 -33.54 84.95 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -111.07 14.59 21.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -54.83 -47.72 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.84 -65.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.2 ttt85 -39.73 -42.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.7 m -56.96 -66.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' CG ' HD21 ' A' ' 15' ' ' LEU . 1.8 ttp-105 -56.93 -15.05 4.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -84.59 -30.09 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.596 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -118.5 19.24 10.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.784 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.59 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.708 0.289 . . . . 0.0 110.87 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.842 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.1 mt-30 -67.7 -36.08 79.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -45.88 -25.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.3 OUTLIER -117.02 -36.95 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.784 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.6 m-85 -62.74 -66.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.55 -65.11 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.0 mm-40 -37.15 -31.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.35 -49.83 7.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.528 HD13 HG11 ' A' ' 29' ' ' VAL . 70.9 mt -70.58 -55.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ILE . 32.3 mttt -36.4 -38.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -94.75 -51.07 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 24.3 m -53.0 -57.53 10.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.467 ' CE2' HG22 ' A' ' 29' ' ' VAL . 6.2 m-85 -85.94 -22.15 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.79 44.77 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.5 m-30 -108.76 25.54 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.85 165.97 13.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.89 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -126.77 81.62 2.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.359 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 139' ' ' ALA . 35.3 t -36.51 -47.22 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.38 153.31 28.54 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.7 -48.32 14.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.329 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.4 t -164.72 150.62 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.1 t -108.81 152.37 24.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 84.2 p -37.45 135.91 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.883 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -82.66 107.86 15.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -125.4 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 p -91.01 40.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -113.48 90.0 3.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.4 -175.91 19.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -105.92 124.27 36.56 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.613 0.721 . . . . 0.0 111.14 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.3 146.09 17.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.6 p -140.03 172.27 13.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.1 175.34 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -97.54 137.89 35.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 13' ' ' ILE . 46.8 mm -123.76 75.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 m -93.03 113.94 26.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD21 ' HE ' ' A' ' 120' ' ' ARG . 0.7 OUTLIER -131.38 121.59 24.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 105' ' ' CYS . 10.1 pttt -131.71 118.75 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -120.89 171.11 8.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 m -105.75 123.59 48.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -102.81 140.42 37.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 20' ' ' LEU . 1.4 mm? -83.79 41.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 t -146.11 165.62 28.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.8 m -80.39 151.9 72.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.707 0.765 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.99 -63.46 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.652 2.235 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -39.32 -35.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -67.2 -70.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.68 -23.04 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.4 t80 -62.62 -15.23 50.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 2.4 mtp85 -96.0 -54.43 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG11 ' CD1' ' A' ' 131' ' ' ILE . 17.3 t -41.84 -26.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' O ' HD11 ' A' ' 46' ' ' LEU . 32.1 m-85 -99.69 -25.35 14.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 20.8 p -111.43 22.35 15.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.5 m -138.51 105.65 5.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -44.69 -62.83 1.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -39.82 -61.29 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.5 mt -49.34 -38.13 26.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 15.2 t -64.88 -49.64 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.679 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.3 mt-30 -63.68 -3.85 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.68 -49.8 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.688 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -86.98 -7.51 58.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.688 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -107.33 -15.91 14.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 38.45 41.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -152.36 152.18 28.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 91.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.712 2.275 . . . . 0.0 112.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.79 138.82 49.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.2 m -126.19 100.11 6.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.2 tt -107.71 138.77 43.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -131.1 96.64 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.79 96.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -174.67 146.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -60.31 97.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 110.0 -5.23 30.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.68 176.08 3.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.97 133.62 55.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 16.1 p90 -121.57 114.5 21.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.646 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -115.72 137.24 52.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.01 177.41 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 57' ' ' VAL . 21.6 t 63.74 39.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 t0 65.08 41.9 4.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.646 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 69.95 34.11 70.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -105.56 -25.67 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 78' ' ' TRP . 94.0 t -125.24 115.27 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.8 p -121.78 177.54 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.569 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.81 -162.73 29.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.8 pt-20 -153.01 136.03 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.767 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -78.87 122.19 25.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 61.7 p -101.97 -36.31 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -143.24 145.84 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.767 HD21 ' CD2' ' A' ' 65' ' ' PHE . 85.8 mt -144.61 110.76 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.4 t -112.36 138.74 22.0 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.623 0.725 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.97 112.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.697 2.264 . . . . 0.0 112.35 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.6 mt-10 30.1 48.0 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mttt -125.93 -58.74 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.684 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.63 162.8 19.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.561 HG23 HD23 ' A' ' 68' ' ' LEU . 80.1 mt -141.21 126.7 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.824 HG22 HG23 ' A' ' 92' ' ' THR . 3.0 t -115.58 122.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -151.66 175.47 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.2 mtmt -94.74 158.01 15.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.44 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.1 t90 -144.0 137.19 27.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.595 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.8 ptm180 -167.25 166.83 14.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -100.68 162.8 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 3.4 tmmm? -73.42 -3.55 28.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.8 p -110.68 -19.41 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.655 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 17.0 m0 -51.53 159.91 1.12 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -51.69 150.18 17.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.269 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.01 107.9 2.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 89.66 45.26 4.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 8' ' ' ILE . 12.8 t60 -142.76 105.04 4.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.797 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.595 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 4.1 m-85 -119.26 172.72 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.59 131.93 54.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.535 ' C ' HD12 ' A' ' 91' ' ' ILE . 22.0 m -78.37 115.72 18.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -116.78 141.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.824 HG23 HG22 ' A' ' 75' ' ' VAL . 59.5 m -133.7 100.37 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.666 HD22 HD11 ' A' ' 104' ' ' LEU . 46.5 mt -83.63 156.24 22.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 104' ' ' LEU . 1.1 m -144.73 131.72 20.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 9.0 m-85 -102.82 124.4 48.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.8 mt -114.76 149.16 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.97 126.52 46.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -122.03 11.94 10.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.08 49.74 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.08 -33.09 1.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.523 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 7.4 mt-10 -129.53 143.27 50.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.6 m -110.32 119.66 39.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -91.88 102.68 15.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD11 HD22 ' A' ' 93' ' ' LEU . 23.7 tp -84.67 102.99 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 24.9 t -88.48 112.43 22.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.586 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.7 tmm? -97.43 134.18 41.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.418 ' O ' ' NH1' ' A' ' 109' ' ' ARG . 20.2 tt0 -133.93 97.71 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -107.16 141.21 15.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -141.31 111.42 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 -179.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.84 4.5 2.68 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.496 HD13 ' CG1' ' A' ' 13' ' ' ILE . 3.2 mp -69.78 120.03 74.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.112 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 122.61 7.49 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.59 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -46.55 -45.73 46.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.577 0.704 . . . . 0.0 111.116 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.4 Cg_exo -56.95 -35.05 98.53 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.655 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 3.6 mt-10 -105.84 6.22 31.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -51.01 -52.72 40.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -63.1 -64.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -39.92 -55.84 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 47.6 m -52.45 -69.68 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.454 ' HE ' HD21 ' A' ' 15' ' ' LEU . 13.0 ttt180 -48.52 -19.35 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.38 -37.77 15.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.57 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -106.33 21.28 33.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -93.89 -66.08 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.582 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.7 mt-30 -68.42 -32.61 72.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -46.3 -27.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -117.14 -34.46 4.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -65.0 -66.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.59 -68.16 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.9 mm-40 -33.69 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -74.32 -68.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.528 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.502 ' CD1' HG11 ' A' ' 29' ' ' VAL . 82.0 mt -48.41 -44.22 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -50.85 -27.34 7.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -100.14 -55.05 2.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.951 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 90.8 m -52.24 -56.39 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.7 m-85 -86.09 -23.69 26.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.18 38.6 9.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.9 m-30 -100.89 27.75 5.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.56 175.22 19.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -127.23 -49.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 24.8 p -77.1 176.86 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -134.19 179.57 17.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.93 167.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.5 m -128.75 42.82 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 38.1 m -92.94 88.76 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -78.15 -49.54 13.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -70.06 163.8 25.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.7 -171.63 47.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -110.24 43.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -121.45 77.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.8 -177.48 31.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.84 137.77 19.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.649 0.737 . . . . 0.0 111.11 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.29 146.98 22.71 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.4 p -139.59 178.01 7.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.5 p -148.51 -178.02 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -110.83 136.53 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 mm -119.4 96.66 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.16 112.86 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD22 ' OE1' ' A' ' 124' ' ' GLN . 3.0 mt -120.31 122.25 40.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -118.41 108.35 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -131.69 154.19 49.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -98.81 150.01 22.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -122.8 142.21 50.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.947 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.3 mm? -80.29 39.58 0.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 137' ' ' TYR . 13.7 t -146.25 168.63 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.3 m -82.14 152.95 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.669 0.747 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 -60.34 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.335 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.87 -39.66 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -60.18 -68.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.1 tp -57.45 -21.47 37.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.78 -20.67 65.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . 6.4 mtp180 -92.69 -50.94 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 135' ' ' PHE . 85.0 t -44.41 -22.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -103.76 -21.83 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' ARG . 43.9 p -113.7 23.1 13.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.796 ' O ' HG23 ' A' ' 36' ' ' VAL . 24.2 m -137.83 107.85 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 55.5 tt0 -46.01 -57.54 4.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -46.88 -66.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' HG ' HG21 ' A' ' 32' ' ' THR . 48.2 mt -42.47 -37.12 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 32' ' ' THR . 38.4 t -67.46 -46.21 83.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.8 mt-30 -64.96 -3.32 3.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.07 -46.27 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 3.2 p90 -90.29 -8.44 50.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.582 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.9 p -103.61 -21.41 13.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 45.32 47.87 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -164.32 150.17 9.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 93.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.641 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.76 137.1 51.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.5 m -120.64 98.9 6.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.644 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -109.94 136.63 48.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.85 97.5 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -64.11 96.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 9.1 m-20 -175.26 147.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -59.64 97.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 112.04 -7.54 27.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.3 164.73 28.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -107.0 145.68 32.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.818 0.342 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 23.3 p90 -129.74 116.63 19.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.581 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -120.62 132.54 55.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.862 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.412 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.5 167.49 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 56' ' ' MET . 5.5 t 73.5 52.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.27 36.75 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.581 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 69.39 51.81 24.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 81' ' ' LYS . 2.6 m-80 -118.85 -22.71 7.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 78' ' ' TRP . 86.4 t -130.09 116.58 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.072 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.7 p -123.2 172.61 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.76 -167.2 36.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -148.16 135.39 20.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.756 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -75.51 127.64 33.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.3 p -107.99 -37.23 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -140.84 142.88 34.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 65' ' ' PHE . 81.7 mt -143.69 109.73 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.8 t -111.66 138.59 21.57 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.1 Cg_exo -48.05 112.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.625 2.217 . . . . 0.0 112.342 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' C ' ' O ' ' A' ' 70' ' ' PRO . 46.8 mt-10 30.21 48.35 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.6 mtpm? -126.51 -57.94 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.77 163.04 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 68' ' ' LEU . 64.3 mt -140.18 130.13 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.72 HG22 HG23 ' A' ' 92' ' ' THR . 21.5 t -119.86 119.93 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -149.78 170.26 19.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -90.57 151.39 21.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.444 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.0 t90 -136.03 140.62 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.593 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -170.27 162.54 8.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -95.91 163.92 12.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -75.74 -1.99 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -114.66 -15.24 11.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.601 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 14.5 m0 -54.46 158.88 3.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.556 0.693 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.0 175.39 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -83.32 125.06 31.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.39 41.34 94.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.541 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.1 t60 -128.19 102.51 6.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 6.6 m-85 -122.51 169.08 11.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.97 131.29 53.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.3 m -77.23 110.61 12.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.454 HD12 ' C ' ' A' ' 90' ' ' THR . 1.8 mp -110.28 133.4 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.72 HG23 HG22 ' A' ' 75' ' ' VAL . 98.0 m -127.38 99.9 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.759 HD22 HD11 ' A' ' 104' ' ' LEU . 23.8 mt -83.29 170.7 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.1 m -157.71 135.87 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -106.86 122.07 45.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 97' ' ' ASP . 47.3 mt -113.33 154.23 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.19 129.33 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -124.84 14.58 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.83 49.87 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.3 -32.85 2.29 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -121.16 170.81 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 94.6 m -134.09 122.88 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -91.87 105.09 17.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.759 HD11 HD22 ' A' ' 93' ' ' LEU . 32.6 tp -85.03 110.49 18.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.7 t -96.29 94.68 7.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -81.44 132.25 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' N ' ' SD ' ' A' ' 106' ' ' MET . 14.5 tt0 -134.99 98.3 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.94 138.03 14.6 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -138.31 116.44 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 127.05 12.24 3.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.38 120.19 80.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.601 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.0 Cg_exo -48.03 121.26 5.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -47.46 -47.45 59.02 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 111.056 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.7 Cg_exo -55.02 -34.62 87.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -109.07 17.94 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -50.57 -66.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' ARG . 14.6 tt0 -59.22 -59.03 6.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' GLU . 21.3 ttt85 -35.93 -43.95 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m -63.68 -70.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.436 ' HG3' HD21 ' A' ' 15' ' ' LEU . 4.4 ttt-85 -49.92 -20.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.401 ' CG ' ' HG2' ' A' ' 117' ' ' GLU . 27.5 mm-40 -75.55 -44.77 41.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.433 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.85 23.04 26.75 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.797 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.23 -67.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.734 0.302 . . . . 0.0 110.947 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.804 ' OE1' HD22 ' A' ' 15' ' ' LEU . 2.6 mt-30 -68.48 -33.73 74.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -46.14 -27.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 126' ' ' TYR . 0.4 OUTLIER -116.99 -35.1 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.797 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.8 m-85 -64.1 -66.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 0.9 OUTLIER -93.57 -70.57 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 128' ' ' PHE . 5.2 mm-40 -33.13 -41.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.15 -66.62 2.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 127' ' ' TYR . 40.7 mt -51.07 -45.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 111.113 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -50.86 -23.52 2.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -99.91 -52.93 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 94.6 m -57.11 -57.84 10.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.1 m-85 -84.92 -23.06 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.0 36.46 13.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.6 m-30 -95.46 27.8 3.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.94 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.08 164.56 12.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.947 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -120.92 140.19 52.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.8 p -84.72 47.03 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -91.22 -178.88 42.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.44 103.15 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 21.9 p -54.28 -37.67 65.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 57.9 m -93.64 45.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -140.26 144.86 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -120.72 95.9 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.91 64.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -142.59 131.85 23.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -67.99 99.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -179.72 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.43 137.53 19.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.137 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -78.1 147.79 23.96 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.347 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.4 p -140.75 176.19 8.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.15 -178.73 6.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -104.54 142.28 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.5 mm -126.17 77.57 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -93.22 112.95 25.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.08 133.99 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.38 107.08 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -121.85 151.91 40.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 9.5 m -107.54 127.7 53.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.53 138.34 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -80.43 38.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 137' ' ' TYR . 6.3 t -141.43 164.77 29.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -78.07 151.74 78.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.653 0.739 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.96 -62.51 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -40.71 -37.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.16 -69.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 tp -55.6 -21.13 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -64.21 -14.63 56.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.1 mtp180 -98.1 -53.08 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 131' ' ' ILE . 17.3 t -43.16 -26.18 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.7 m-85 -97.64 -26.58 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' ARG . 42.1 p -111.06 24.13 13.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.7 m -138.39 105.65 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 57.5 tt0 -44.4 -63.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -40.31 -60.79 1.01 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 62.3 mt -49.44 -35.97 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 32' ' ' THR . 21.9 t -68.04 -47.28 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.613 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.0 mt-30 -64.81 -3.53 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.9 -50.08 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.677 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.5 p90 -86.52 -7.09 58.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.677 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 74.9 p -108.04 -15.13 14.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.139 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 47.1 m-70 37.86 39.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -150.19 150.87 30.53 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 92.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.613 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -115.14 138.74 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.412 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 39.5 m -125.21 99.84 6.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.41 140.71 38.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -131.84 96.8 4.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 94.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -173.8 146.76 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -59.24 101.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 104.71 -2.03 42.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.88 176.22 5.91 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -120.17 132.9 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.7 p90 -121.35 116.85 25.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.625 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.38 136.5 53.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.43 177.46 8.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.409 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.2 t 61.31 50.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.26 27.61 15.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.625 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 82.09 34.27 24.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.457 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -104.69 -17.16 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -130.82 116.34 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.4 p -122.63 176.25 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -179.74 -163.85 31.12 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG2' ' CE ' ' A' ' 77' ' ' LYS . 6.5 pt-20 -152.94 136.76 16.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.91 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.2 m-30 -79.22 121.71 25.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.4 p -101.74 -37.67 8.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.62 144.66 34.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.5 mt -143.93 111.45 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.55 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 t -112.41 138.42 21.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.714 . . . . 0.0 111.137 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.7 Cg_exo -47.99 115.15 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 70' ' ' PRO . 50.9 mt-10 27.43 48.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 11.4 mmmt -127.04 -57.54 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.608 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -166.08 162.89 18.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.571 HG23 HD23 ' A' ' 68' ' ' LEU . 69.4 mt -139.58 129.5 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 92' ' ' THR . 23.5 t -118.51 121.48 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.5 171.13 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' CE ' ' HG2' ' A' ' 64' ' ' GLU . 38.0 mtmt -92.43 151.81 20.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.434 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -136.79 138.99 41.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.7 ptm180 -168.74 164.57 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.75 166.58 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.23 -4.63 42.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 t -107.21 -22.73 12.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.593 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 27.5 m0 -51.08 158.45 1.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.8 Cg_endo -68.1 153.9 73.79 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -56.52 151.6 13.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.72 43.17 22.02 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 4.5 t60 -134.91 93.58 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.5 m-85 -122.41 167.92 12.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.38 132.16 55.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.502 HG21 ' NH2' ' A' ' 109' ' ' ARG . 15.9 m -78.4 106.44 10.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.43 127.29 63.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.7 HG23 HG22 ' A' ' 75' ' ' VAL . 85.0 m -122.65 100.88 7.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.518 HD22 HD11 ' A' ' 104' ' ' LEU . 35.1 mt -85.32 152.29 23.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.31 131.1 27.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -104.63 120.36 41.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 97' ' ' ASP . 50.0 mt -113.67 155.55 14.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 96' ' ' ILE . 0.2 OUTLIER -102.89 132.52 49.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -125.91 13.28 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t30 74.19 49.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.7 -31.17 2.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.33 164.87 20.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -127.22 124.58 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -91.43 105.16 17.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD23 ' CE1' ' A' ' 128' ' ' PHE . 24.1 tp -86.56 102.02 13.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.84 93.55 9.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.9 OUTLIER -80.66 134.16 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -134.98 98.03 3.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.05 138.04 14.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.502 ' NH2' HG21 ' A' ' 90' ' ' THR . 29.3 ptt-85 -138.46 118.26 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.13 7.3 4.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.441 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.18 123.0 88.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 64.4 Cg_exo -47.96 120.48 4.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.379 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -44.81 -48.83 28.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 0.0 111.063 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.6 Cg_exo -55.76 -36.73 95.65 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 5.0 mt-10 -100.8 -1.28 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' PRO . 63.2 tt0 -38.93 -53.35 1.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 118' ' ' ARG . 16.6 tt0 -67.65 -68.33 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 117' ' ' GLU . 22.5 ttt85 -32.88 -52.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.8 m -53.89 -69.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -47.83 -35.45 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -67.13 -40.05 86.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -106.38 21.74 32.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.774 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -94.15 -67.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.583 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 2.6 mt-30 -68.82 -28.26 66.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -50.37 -25.58 4.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -119.65 -32.65 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.774 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -66.87 -67.12 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.583 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.2 m-30 -93.46 -68.62 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 128' ' ' PHE . 27.5 mt-10 -33.3 -34.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.72 -70.13 1.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.503 HG12 HG11 ' A' ' 29' ' ' VAL . 62.6 mt -48.43 -40.13 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.9 mtpp -56.51 -28.87 61.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -99.04 -58.04 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.9 m -52.86 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 3.8 m-85 -85.2 -24.37 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.17 46.47 6.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 19.7 m-30 -107.88 23.55 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.982 0.42 . . . . 0.0 110.888 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -108.83 173.49 17.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.795 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -117.65 -55.05 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 p -148.24 168.47 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -151.92 153.32 24.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.65 -46.63 14.7 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 m -96.78 -61.12 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 19.5 m 52.66 42.69 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.467 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.6 p -62.05 99.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.38 . . . . 0.0 110.884 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -73.18 -57.03 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.97 134.64 2.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -156.53 163.01 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.878 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -71.51 102.05 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.45 -177.01 19.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -104.66 138.59 19.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.609 0.719 . . . . 0.0 111.171 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.44 148.07 23.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.342 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 76.9 p -140.33 177.37 8.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.8 174.42 13.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -96.58 144.77 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 13' ' ' ILE . 41.4 mm -128.78 75.55 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.6 m -91.37 118.09 30.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 3.5 mt -121.8 142.55 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -132.36 102.84 5.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.62 150.21 41.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.8 m -103.96 136.06 44.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.81 141.68 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.4 mm? -81.09 40.05 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -146.79 160.46 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 m -72.13 155.45 91.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 110.898 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -47.92 -55.44 4.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 5.5 tt0 -47.05 -58.75 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -44.41 -49.11 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 tp -75.7 -15.53 60.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' GLU . 8.5 t80 -64.18 -39.81 94.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -79.26 -48.07 14.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 HG22 ' CE2' ' A' ' 135' ' ' PHE . 90.3 t -41.68 -27.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.081 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -102.4 -22.61 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 28' ' ' ARG . 28.4 p -113.91 32.54 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.5 m -142.35 105.09 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' H ' ' A' ' 46' ' ' LEU . 58.4 tt0 -44.46 -48.42 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -55.61 -66.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 65.4 mt -45.44 -27.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 42.5 t -74.56 -44.57 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 16.4 mt-30 -68.35 -1.83 7.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.56 -49.49 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.8 p90 -90.13 8.46 32.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 36' ' ' VAL . 64.0 p -120.62 -26.4 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 49.11 45.57 23.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.02 150.28 13.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.95 95.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.89 136.23 52.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.8 m -120.59 99.56 6.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 36' ' ' VAL . 3.3 tt -113.12 139.71 48.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -131.8 96.73 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.76 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -175.23 147.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -60.1 99.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.0 -3.12 33.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.51 172.19 13.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.9 137.21 52.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.55 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 15.6 p90 -124.66 123.43 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -130.36 134.79 47.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.01 169.41 20.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.8 t 72.64 54.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t70 51.68 35.83 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.81 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 70.73 51.68 18.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.43 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 81' ' ' LYS . 7.1 m-80 -117.65 -23.59 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.5 t -129.12 117.08 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.5 p -122.81 172.28 8.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.55 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.6 -169.99 41.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.428 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -145.72 138.04 25.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.826 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -77.6 127.34 32.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -106.86 -38.78 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -140.0 142.14 36.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.826 HD21 ' CD2' ' A' ' 65' ' ' PHE . 59.1 mt -142.83 113.79 7.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 73' ' ' HIS . 21.4 t -115.14 139.05 23.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.643 0.735 . . . . 0.0 111.112 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.6 Cg_exo -47.95 111.29 0.41 Allowed 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.744 2.296 . . . . 0.0 112.342 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.7 mt-10 30.77 49.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.0 mtpt -127.6 -59.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.639 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.51 162.83 24.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.821 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.538 HG23 HD23 ' A' ' 68' ' ' LEU . 70.2 mt -140.35 126.4 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.678 HG13 ' OG1' ' A' ' 92' ' ' THR . 4.2 t -117.64 120.62 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -150.79 175.07 12.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -95.0 148.6 22.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.552 ' CE2' HG11 ' A' ' 61' ' ' VAL . 7.1 t90 -133.93 142.88 47.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.4 ptm180 -171.51 164.55 6.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.569 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.6 m-85 -98.76 165.32 11.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 3.5 tmmm? -75.62 -5.22 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.8 t -112.76 -15.16 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.3 m0 -53.93 156.31 5.28 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.556 0.693 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.06 140.3 32.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.688 2.259 . . . . 0.0 112.34 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -55.86 118.68 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.71 44.74 11.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' CD2' ' HG3' ' A' ' 112' ' ' PRO . 8.5 t60 -135.73 106.73 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.349 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 22.4 m-85 -124.68 166.37 16.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.13 132.68 54.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.456 ' C ' HD12 ' A' ' 91' ' ' ILE . 24.7 m -76.42 109.75 10.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -111.26 134.62 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.678 ' OG1' HG13 ' A' ' 75' ' ' VAL . 32.8 m -130.96 99.83 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -83.0 165.64 19.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.3 m -152.73 137.95 17.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 6.5 m-85 -109.67 120.84 43.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 97' ' ' ASP . 56.3 mt -111.52 152.01 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.403 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.1 t70 -99.1 131.23 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -127.03 15.51 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.4 50.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.49 -36.47 1.9 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -120.94 165.68 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.9 m -127.7 125.32 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -91.54 105.04 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 128' ' ' PHE . 31.5 tp -84.43 105.61 15.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.1 t -97.38 93.69 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.594 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.2 tmm? -83.05 133.42 35.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' SD ' ' A' ' 106' ' ' MET . 6.0 tt0 -131.36 97.55 4.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.57 137.59 14.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.94 113.45 8.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.45 10.94 2.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.76 124.52 89.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.1 Cg_exo -47.96 121.19 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.595 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.68 -45.53 70.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 0.0 111.092 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 51.1 Cg_exo -55.42 -31.27 77.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -112.81 7.56 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -43.44 -44.63 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 118' ' ' ARG . 44.8 tt0 -76.02 -65.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 117' ' ' GLU . 10.7 ttt85 -33.92 -53.23 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 m -50.46 -68.84 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.401 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 10.3 ttt180 -49.78 -37.77 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.86 -32.79 74.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -113.9 19.05 18.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.803 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.8 OUTLIER -93.72 -67.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 15' ' ' LEU . 1.5 mp0 -66.8 -32.27 73.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -46.27 -29.05 1.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.88 -41.94 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.803 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -57.86 -66.63 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CE1' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -93.33 -70.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.5 mm-40 -31.93 -42.27 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.2 -69.1 1.45 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.765 HD12 ' O ' ' A' ' 127' ' ' TYR . 39.4 mt -47.06 -42.87 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -53.47 -30.88 43.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -95.48 -56.44 2.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.5 m -52.45 -60.17 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.9 m-85 -81.19 -25.21 36.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.19 32.63 16.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.2 m-30 -94.15 30.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.19 157.28 15.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -87.26 -43.82 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.797 0.332 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.8 t 63.47 45.82 4.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -95.19 -151.18 28.06 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.47 162.02 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.733 2.289 . . . . 0.0 112.374 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.7 m -129.43 93.42 3.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.3 p -44.57 119.27 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -101.97 135.82 42.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -51.34 -37.75 49.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.31 -67.98 1.01 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t 72.39 30.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -80.87 85.06 6.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.45 178.48 29.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.528 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -105.5 139.09 19.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -78.35 148.97 24.23 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.6 p -141.55 177.35 8.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -153.0 -178.15 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 24.8 tttt -110.21 142.13 42.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 HD11 ' HG3' ' A' ' 116' ' ' GLU . 32.5 mm -119.89 122.48 68.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.42 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -123.76 124.23 42.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD22 ' OE1' ' A' ' 124' ' ' GLN . 6.0 mt -136.55 121.84 19.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.56 100.76 7.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' OE2' ' CB ' ' A' ' 128' ' ' PHE . 5.9 tt0 -117.48 141.03 48.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -94.65 137.63 33.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -112.13 139.69 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.8 mm? -80.3 39.59 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 t -144.58 169.65 17.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -81.03 150.16 68.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.692 0.758 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -60.28 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.366 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.84 -34.92 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -66.54 -70.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.23 -22.72 31.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 74' ' ' ILE . 18.6 t80 -61.9 -17.83 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.19 -47.93 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' CB ' ' A' ' 35' ' ' LEU . 99.3 t -47.77 -19.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' O ' HD11 ' A' ' 46' ' ' LEU . 34.7 m-85 -102.72 -28.14 12.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.5 p -109.92 24.93 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.826 ' O ' HG23 ' A' ' 36' ' ' VAL . 25.0 m -138.99 106.64 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' CA ' ' HB3' ' A' ' 46' ' ' LEU . 56.9 tt0 -43.66 -65.04 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -39.58 -62.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 55.9 mt -47.86 -33.23 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 32' ' ' THR . 21.5 t -71.18 -47.91 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.74 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.5 mt-30 -64.92 -3.3 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.65 -50.03 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 4.6 p90 -85.75 -6.23 59.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.603 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.7 p -108.08 -17.59 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 41.09 39.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.91 151.69 28.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.02 91.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -113.94 139.4 49.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.8 m -126.55 99.78 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD13 HG21 ' A' ' 36' ' ' VAL . 2.9 tt -106.59 142.09 36.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -133.28 95.72 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.87 96.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -174.71 145.84 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -60.13 97.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.03 -1.83 31.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.47 179.76 2.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -122.03 128.21 51.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 10.1 p90 -118.66 119.0 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.589 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.6 OUTLIER -120.82 136.39 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.51 176.46 9.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 57' ' ' VAL . 16.8 t 66.67 34.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 t70 67.72 43.52 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.589 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 70.55 28.78 70.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -102.07 -23.47 14.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG11 ' CE2' ' A' ' 78' ' ' TRP . 95.1 t -128.82 115.36 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 59.8 p -121.09 177.09 5.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 177.48 -169.68 41.89 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.439 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 6.6 pt-20 -147.4 140.45 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.787 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-30 -81.62 125.16 30.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 38.4 p -104.98 -38.2 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.6 144.4 35.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.787 HD21 ' CD2' ' A' ' 65' ' ' PHE . 72.7 mt -143.72 111.29 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.6 t -112.93 138.49 22.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 71' ' ' GLU . 64.8 Cg_exo -47.99 114.38 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.63 2.22 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.519 ' C ' ' O ' ' A' ' 70' ' ' PRO . 29.1 mt-10 27.74 49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.83 -58.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.61 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.16 162.73 20.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.588 HG23 HD23 ' A' ' 68' ' ' LEU . 58.8 mt -140.45 128.62 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.724 HG22 HG23 ' A' ' 92' ' ' THR . 18.1 t -118.03 120.42 64.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.38 172.21 15.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 38.7 mtmt -91.55 155.13 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.409 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -141.85 137.37 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -165.23 169.58 15.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.1 m-85 -105.03 164.33 11.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.04 -2.63 31.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.8 t -115.59 -15.26 11.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.599 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 10.1 m0 -54.21 158.76 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.529 0.68 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.76 155.99 5.01 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -60.37 128.88 38.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.41 54.35 36.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.426 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -132.91 102.8 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 32.4 m-85 -121.27 164.09 17.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.96 133.24 54.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.9 m -77.01 111.83 12.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -111.41 134.71 52.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.724 HG23 HG22 ' A' ' 75' ' ' VAL . 96.3 m -128.77 101.28 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.61 HD22 ' CG ' ' A' ' 104' ' ' LEU . 30.7 mt -88.12 158.65 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.0 m -146.12 131.65 18.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -104.37 124.93 50.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.472 HD12 ' OE2' ' A' ' 103' ' ' GLU . 46.5 mt -116.07 153.21 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 96' ' ' ILE . 2.6 t70 -101.27 131.47 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -124.97 13.76 8.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 74.17 48.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.31 -32.99 2.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -122.58 169.39 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.975 0.416 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.8 m -132.37 122.48 25.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' OE2' HD12 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -91.58 102.36 15.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.61 ' CG ' HD22 ' A' ' 93' ' ' LEU . 13.7 tp -84.95 100.64 11.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.447 ' N ' ' OE1' ' A' ' 103' ' ' GLU . 3.9 t -87.0 98.03 11.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.602 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.0 OUTLIER -83.78 128.07 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -134.95 99.86 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.15 145.69 17.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -141.29 115.07 9.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.84 8.69 2.68 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.1 mp -73.64 124.59 90.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.649 0.738 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.599 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 63.9 Cg_exo -47.91 127.99 15.52 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.705 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -54.5 -42.65 95.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.548 0.689 . . . . 0.0 111.106 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.705 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 50.8 Cg_endo -73.83 -0.39 9.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 116' ' ' GLU . 5.5 mm-40 -126.14 -13.8 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HG3' HD11 ' A' ' 13' ' ' ILE . 63.4 tt0 -33.97 -61.41 0.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' ARG . 28.6 tt0 -55.22 -69.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' GLU . 32.3 ttt180 -37.98 -36.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.7 m -66.63 -70.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' A' ' 15' ' ' LEU . 10.5 ttt180 -53.38 -20.97 5.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -74.92 -41.77 59.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.425 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.96 25.45 14.28 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.785 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -93.24 -67.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.937 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 2.5 mt-30 -68.2 -35.34 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -44.73 -25.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -118.6 -38.87 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.785 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.76 -66.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.42 -68.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.6 mm-40 -34.64 -36.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -71.08 -50.87 20.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 132' ' ' LYS . 42.7 mt -68.55 -55.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' ILE . 14.7 mttm -35.1 -43.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -90.67 -50.88 5.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 52.8 m -50.06 -63.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.434 ' CD1' HG23 ' A' ' 131' ' ' ILE . 6.6 m-85 -82.7 -20.98 35.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.71 32.45 11.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 15.6 m-30 -95.81 28.77 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.904 0.383 . . . . 0.0 110.91 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -113.44 151.85 18.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.87 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -109.9 -61.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.9 m -139.19 146.26 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -130.5 176.73 18.73 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.98 -27.37 8.55 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.1 m -156.08 121.36 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 2.6 m -42.84 142.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -118.03 92.77 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -41.15 142.53 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.68 -65.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -84.6 91.28 7.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -42.64 130.68 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.41 179.19 22.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.482 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -97.11 137.09 21.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.82 148.27 19.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.335 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.3 p -139.75 177.19 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -155.35 169.08 25.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -97.83 142.13 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' O ' HG22 ' A' ' 13' ' ' ILE . 44.3 mm -117.8 84.35 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -92.03 113.58 25.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.75 134.18 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -127.39 102.52 6.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -119.63 145.78 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.429 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . 2.5 m -97.77 126.84 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.179 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -104.47 137.41 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.76 38.75 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -144.32 163.94 32.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.6 p -77.35 150.92 80.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.706 0.765 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.0 -62.3 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.28 . . . . 0.0 112.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -40.01 -40.02 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.92 -68.11 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.97 -24.33 37.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -60.33 -19.68 56.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 2.3 mtp180 -93.3 -51.98 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.608 HG11 HD13 ' A' ' 131' ' ' ILE . 87.2 t -44.53 -21.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' O ' HD11 ' A' ' 46' ' ' LEU . 44.6 m-85 -103.35 -23.49 13.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' ARG . 44.1 p -114.52 26.17 10.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.76 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -140.17 106.29 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -46.17 -51.34 14.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -51.39 -62.66 1.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 37.3 mt -48.66 -31.87 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 32' ' ' THR . 50.0 t -69.99 -49.29 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 14.8 mt-30 -64.26 -3.5 2.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.92 -49.16 6.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 10.3 p90 -91.64 8.8 35.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.8 p -122.91 -20.66 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 42.13 44.47 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' A' ' 58' ' ' ASP . . . -156.64 150.34 19.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.585 0.707 . . . . 0.0 111.087 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.99 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.71 138.25 49.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.4 m -123.15 99.27 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 36' ' ' VAL . 2.1 tt -112.03 138.98 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -132.01 99.14 4.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.35 96.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -175.28 147.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -59.26 100.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.13 -4.75 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.35 170.75 8.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.73 138.21 50.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 16.1 p90 -125.02 121.68 35.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.582 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -128.13 134.74 49.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 169.08 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 t 73.3 54.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.17 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.432 ' H ' ' HB1' ' A' ' 42' ' ' ALA . 15.6 m-20 51.37 33.47 10.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.582 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 73.07 55.84 6.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.6 m-80 -122.56 -23.37 5.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG11 ' CE2' ' A' ' 78' ' ' TRP . 91.1 t -128.9 116.51 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.2 p -122.48 172.58 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.33 -169.43 40.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -146.41 138.49 24.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.835 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.94 125.08 28.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 30.5 p -106.04 -37.08 6.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -140.08 142.82 36.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.835 HD21 ' CD2' ' A' ' 65' ' ' PHE . 68.2 mt -143.87 109.96 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.579 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.0 t -111.6 139.11 21.77 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.626 0.726 . . . . 0.0 111.131 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.508 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.06 111.85 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.3 mt-10 30.35 48.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.2 mtpt -126.96 -58.26 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.644 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.48 162.96 22.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.487 HG23 HD23 ' A' ' 68' ' ' LEU . 72.5 mt -139.11 124.64 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 92' ' ' THR . 6.3 t -114.89 120.22 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.21 170.34 19.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -91.61 149.68 21.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.546 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.3 t90 -135.19 142.95 46.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.2 ptm180 -171.61 159.67 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.9 m-85 -92.6 159.61 15.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -70.0 -5.44 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.926 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.1 t -112.6 -14.39 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' OE1' ' A' ' 115' ' ' GLU . 9.9 m0 -56.36 155.07 14.17 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.509 0.671 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -52.41 156.11 8.74 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -66.17 141.05 58.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.63 38.08 70.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.43 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 6.4 t60 -128.58 101.77 6.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 9.3 m-85 -124.83 168.11 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.42 133.13 55.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.1 m -76.53 108.45 9.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.86 130.48 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.805 HG23 HG22 ' A' ' 75' ' ' VAL . 95.2 m -127.51 101.05 6.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 106' ' ' MET . 30.1 mt -84.69 156.4 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.952 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.5 m -143.77 133.08 23.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -105.58 125.34 50.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 mt -115.65 150.72 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 131.02 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.32 13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t30 73.66 50.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 139.09 -32.89 2.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.95 168.19 13.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.9 m -131.71 122.84 26.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -91.44 104.77 17.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.547 ' CG ' HD22 ' A' ' 93' ' ' LEU . 26.0 tp -86.06 105.46 16.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.7 t -95.1 94.23 7.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.606 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.5 OUTLIER -78.64 134.77 37.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -134.92 97.71 3.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.32 134.87 12.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -133.99 119.51 19.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 9.23 5.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.5 120.29 80.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 66.1 Cg_exo -47.98 124.56 10.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -48.38 -49.49 62.66 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.55 0.69 . . . . 0.0 111.075 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 48.4 Cg_exo -59.24 -35.44 97.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' OE1' ' CD1' ' A' ' 83' ' ' TRP . 16.8 mt-10 -103.52 17.7 23.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.53 -68.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 121' ' ' GLN . 23.4 tt0 -47.82 -48.75 30.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttt-85 -50.34 -52.95 32.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.9 m -49.56 -70.66 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -50.38 -34.75 25.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 117' ' ' GLU . 30.6 mm-40 -65.54 -29.5 70.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.517 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.38 19.74 8.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.793 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -92.03 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 124' ' ' GLN . 1.2 mp0 -66.83 -32.47 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' ' CD1' ' A' ' 126' ' ' TYR . 26.7 mmt-85 -49.2 -22.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.93 -37.23 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.793 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -63.54 -66.75 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.44 -68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 128' ' ' PHE . 79.3 mm-40 -33.87 -33.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.72 -66.88 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.608 HD13 HG11 ' A' ' 29' ' ' VAL . 75.3 mt -50.62 -40.89 19.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 18' ' ' THR . 15.2 mtpp -56.98 -23.74 48.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -99.9 -56.03 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 92.9 m -54.47 -59.23 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 9.7 m-85 -82.73 -24.95 33.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.59 44.35 7.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.8 m-30 -102.47 24.41 10.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.898 0.38 . . . . 0.0 110.874 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.401 ' CA ' ' HE3' ' A' ' 132' ' ' LYS . . . -111.4 174.23 16.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.68 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -121.15 166.38 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.8 t -72.08 115.52 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -147.93 -167.05 13.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.65 150.38 27.65 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.723 2.282 . . . . 0.0 112.311 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 73.7 m -116.28 133.63 55.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 92.5 p -46.09 130.96 10.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.513 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 t -53.42 131.01 37.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.83 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 t -109.58 148.41 31.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.48 150.29 41.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.464 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 14.3 m -37.45 -49.6 1.04 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.818 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m 52.48 48.61 22.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.31 -175.43 54.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.615 HG21 ' CE1' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -111.95 124.0 33.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.18 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.12 141.64 14.82 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.7 p -135.94 174.49 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.0 m -149.22 172.03 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' CE ' ' OG1' ' A' ' 14' ' ' THR . 27.3 tttt -106.02 134.07 49.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.12 115.39 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.41 ' OG1' ' CE ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -116.77 119.05 34.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' OE1' ' A' ' 124' ' ' GLN . 4.8 mt -126.89 122.62 35.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -122.96 100.69 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.44 142.6 50.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.8 m -92.74 138.77 31.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -113.52 143.78 43.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.8 38.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -144.26 170.8 15.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 m -86.04 156.96 57.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 -54.67 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 3.3 tt0 -48.06 -52.08 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' A' ' 28' ' ' ARG . 5.4 tp10 -53.2 -49.48 66.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.1 tp -76.21 -9.86 58.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -71.53 -36.25 70.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.34 -45.31 13.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 135' ' ' PHE . 91.0 t -44.49 -24.86 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' O ' HD11 ' A' ' 46' ' ' LEU . 33.0 m-85 -105.53 -22.55 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -112.83 27.61 9.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.0 m -140.94 105.06 4.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -42.39 -64.34 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -40.9 -59.31 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 61.6 mt -51.03 -32.59 22.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 32' ' ' THR . 26.1 t -69.52 -47.97 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 17.3 mt-30 -65.52 -4.3 5.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.12 -41.28 13.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.612 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.9 p90 -96.91 -8.88 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.612 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.4 p -104.93 -21.87 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 44.39 42.5 5.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 153.18 25.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.636 0.731 . . . . 0.0 111.071 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.04 91.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.638 2.225 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.31 139.12 49.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -126.15 100.01 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 30' ' ' PHE . 2.6 tt -107.63 141.4 39.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -132.74 96.56 3.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.98 94.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -173.93 146.1 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -59.61 99.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.33 -5.38 33.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.461 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.67 177.12 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.471 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.49 134.59 55.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 15.6 p90 -121.83 116.3 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -117.13 137.34 52.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.88 176.82 9.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 57' ' ' VAL . 11.1 t 63.65 42.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 64.8 28.65 12.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 83.43 23.72 53.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.62 -21.45 18.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.382 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 78' ' ' TRP . 77.5 t -128.52 115.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -122.57 177.15 5.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 179.94 -164.18 31.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 4.4 pt-20 -152.27 136.31 16.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.733 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.5 m-30 -78.35 122.64 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.4 p -105.73 -32.42 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -143.39 142.33 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.733 HD21 ' CD2' ' A' ' 65' ' ' PHE . 82.9 mt -144.11 108.67 4.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 19.2 t -111.33 139.03 21.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.16 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.9 Cg_exo -47.96 110.6 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.4 mt-10 31.28 49.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.519 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 6.7 mtpt -127.2 -60.86 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.05 163.01 26.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.537 HG23 HD23 ' A' ' 68' ' ' LEU . 47.2 mt -142.19 127.35 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.792 HG22 HG23 ' A' ' 92' ' ' THR . 9.1 t -116.89 119.48 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -147.51 175.21 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 38.3 mtmt -95.29 152.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.477 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.7 t90 -138.33 144.13 40.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.5 ptm180 -172.64 168.39 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.595 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.7 m-85 -104.39 163.14 12.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 1.2 tmmm? -74.49 -1.2 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 58.0 m -114.35 -16.02 12.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.596 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 16.7 m0 -54.03 160.16 2.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.631 0.729 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 168.38 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 0.0 112.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.53 137.12 55.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 42.41 56.44 4.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.527 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.615 ' CE1' HG21 ' A' ' 8' ' ' ILE . 8.6 t60 -134.5 106.5 7.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.354 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 10.4 m-85 -122.7 169.79 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.94 132.92 54.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.521 ' C ' HD12 ' A' ' 91' ' ' ILE . 23.0 m -77.14 115.73 17.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 90' ' ' THR . 2.1 mp -116.87 135.45 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.792 HG23 HG22 ' A' ' 75' ' ' VAL . 93.5 m -126.9 99.89 5.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 106' ' ' MET . 47.7 mt -83.62 157.08 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.89 138.71 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 8.0 m-85 -111.03 124.68 52.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 50.5 mt -114.82 149.33 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 128.45 45.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.0 mmtt -123.69 13.75 9.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.2 50.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.4 -30.14 2.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -128.29 157.19 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 84.3 m -123.45 123.07 39.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -91.67 107.98 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 128' ' ' PHE . 27.6 tp -87.24 104.21 16.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.0 t -93.68 94.57 8.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.605 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.4 OUTLIER -84.23 133.81 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -134.69 97.81 3.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -103.43 142.32 15.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -140.19 114.79 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 14.2 3.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.64 119.74 78.71 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.596 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.6 Cg_exo -48.02 122.03 6.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.367 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.42 -45.36 84.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.7 Cg_exo -55.89 -16.72 16.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -124.09 -2.87 8.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -38.46 -42.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 118' ' ' ARG . 3.9 tp10 -73.64 -70.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 117' ' ' GLU . 8.2 ttt85 -36.68 -47.72 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.3 m -49.63 -70.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 ttt-85 -54.34 -38.74 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 8.0 mt-30 -62.98 -24.76 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.546 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -122.78 14.73 8.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.792 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.1 OUTLIER -88.41 -67.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 126' ' ' TYR . 1.5 mp0 -68.44 -37.07 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -41.55 -25.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.546 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -119.23 -38.96 2.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.792 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -60.18 -66.73 0.48 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -93.26 -62.98 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -42.85 -26.96 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -80.95 -52.33 4.38 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.474 HD13 HG11 ' A' ' 29' ' ' VAL . 53.2 mt -66.32 -55.19 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 131' ' ' ILE . 45.9 mttt -34.17 -45.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -88.26 -51.4 5.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.2 m -49.81 -62.26 1.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.583 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.4 m-85 -81.87 -25.0 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.6 36.18 6.6 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 16.1 m-30 -101.47 28.87 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -104.33 149.27 17.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.881 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -103.47 36.17 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 75.3 m 62.37 40.46 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 65.06 -159.11 44.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.0 153.69 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.344 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.4 p -85.83 158.52 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 54.6 p -166.03 119.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -71.77 -12.25 61.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -87.39 166.01 15.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 115.27 0.37 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.54 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 19.6 m -141.05 154.82 46.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 3.7 m -35.76 127.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.54 -175.32 35.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -106.52 137.55 19.48 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.144 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -78.58 149.56 24.01 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.367 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -141.52 178.06 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.08 -178.11 6.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -103.54 149.34 24.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' HE3' ' A' ' 106' ' ' MET . 27.2 mm -131.51 92.25 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.5 m -102.83 114.08 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' CD2' ' HE ' ' A' ' 120' ' ' ARG . 5.4 mt -120.51 124.45 45.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.25 102.54 9.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -125.12 142.42 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.1 m -96.73 144.21 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -118.77 142.04 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.1 mm? -80.97 39.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.7 t -144.84 163.97 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 74.0 m -77.44 153.31 81.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 -56.11 3.4 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -45.63 -42.23 11.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -59.18 -69.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 tp -57.03 -21.17 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 74' ' ' ILE . 12.8 t80 -63.57 -19.64 64.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' THR . 3.2 mtp85 -93.39 -51.22 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 131' ' ' ILE . 24.5 t -45.34 -21.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' O ' HD11 ' A' ' 46' ' ' LEU . 40.1 m-85 -103.31 -22.9 13.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ARG . 56.1 p -114.83 23.15 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.727 ' O ' HG23 ' A' ' 36' ' ' VAL . 26.7 m -139.34 105.3 5.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -43.1 -62.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -40.33 -65.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 36.0 mt -45.22 -41.0 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 32' ' ' THR . 22.6 t -62.11 -46.83 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.628 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.5 mt-30 -65.47 -3.2 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -88.39 -49.33 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 4.9 p90 -87.58 -5.56 58.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 80.5 p -110.6 -16.1 13.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 38.17 39.03 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -149.78 152.71 35.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.615 0.722 . . . . 0.0 111.092 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.93 92.67 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.381 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.14 133.52 55.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 54.1 m -119.83 99.72 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.9 138.76 44.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -129.47 96.12 4.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 96.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.55 145.68 0.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.3 mtt85 -59.06 98.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.54 -6.94 31.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.0 171.42 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -110.33 150.85 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 14.0 p90 -138.34 110.47 7.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.662 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -111.21 140.52 45.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.19 177.45 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 57' ' ' VAL . 18.8 t 61.91 39.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.65 36.34 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.662 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 75.41 28.7 61.2 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -99.2 -24.25 14.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG11 ' NE1' ' A' ' 78' ' ' TRP . 47.3 t -132.15 116.35 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.55 ' HA ' ' O ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -128.39 177.79 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.565 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -174.77 -157.37 16.05 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 6.2 pt-20 -153.09 134.38 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.913 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.696 ' HD2' HD11 ' A' ' 68' ' ' LEU . 3.3 m-30 -76.81 121.91 24.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 36.7 p -105.33 -34.68 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.59 142.07 33.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.696 HD11 ' HD2' ' A' ' 65' ' ' PHE . 88.3 mt -144.09 107.66 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' CD2' ' A' ' 73' ' ' HIS . 20.7 t -109.8 138.9 20.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.3 Cg_exo -48.0 111.93 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.295 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 70' ' ' PRO . 40.7 mt-10 30.56 49.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 4.7 mtpp -127.79 -59.52 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.613 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.35 162.93 22.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.668 HG23 HD23 ' A' ' 68' ' ' LEU . 68.3 mt -140.77 125.4 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.891 HG22 HG23 ' A' ' 92' ' ' THR . 9.2 t -114.39 122.09 67.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -150.53 174.32 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 37.9 mtmt -95.36 154.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.586 ' CZ3' HG23 ' A' ' 119' ' ' THR . 13.5 t90 -138.73 142.67 38.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 5.4 ptm180 -169.83 165.12 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 1.1 m-85 -102.0 164.09 11.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -75.21 -3.17 31.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.7 t -113.12 -19.19 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.597 ' CZ2' ' HD2' ' A' ' 112' ' ' PRO . 12.7 m0 -51.03 157.93 1.31 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.25 161.17 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -67.75 122.43 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.01 50.81 43.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -132.94 102.16 5.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 20.3 m-85 -121.3 165.01 16.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.67 133.21 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.481 ' C ' HD12 ' A' ' 91' ' ' ILE . 18.8 m -78.24 111.33 14.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.481 HD12 ' C ' ' A' ' 90' ' ' THR . 1.9 mp -112.62 136.87 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.891 HG23 HG22 ' A' ' 75' ' ' VAL . 83.1 m -128.64 100.58 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 104' ' ' LEU . 38.1 mt -85.71 151.54 23.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -139.15 137.46 36.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 2.9 m-85 -110.26 122.63 48.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.8 mt -113.56 152.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -102.03 129.81 48.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -124.73 13.24 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.83 50.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.27 -32.43 2.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.438 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -126.74 162.0 26.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.9 m -125.09 125.46 43.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -91.44 104.33 16.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 93' ' ' LEU . 31.5 tp -84.89 104.45 14.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 15.5 t -96.96 93.88 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.578 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 2.4 tmm? -83.83 135.53 34.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' N ' ' SD ' ' A' ' 106' ' ' MET . 8.8 tt0 -134.8 97.61 3.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -105.59 142.24 15.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.65 112.84 7.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 132.03 7.53 2.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.8 mp -71.52 126.24 91.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.674 0.749 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CZ2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.98 130.53 19.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.336 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.732 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -58.38 -41.12 87.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.732 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 52.7 Cg_endo -73.9 -3.07 13.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.365 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.462 ' O ' ' C ' ' A' ' 116' ' ' GLU . 19.5 mm-40 -124.17 -14.36 7.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' GLU . 55.2 tt0 -33.38 -63.35 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' OE2' ' CD ' ' A' ' 121' ' ' GLN . 2.3 tm-20 -50.25 -70.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -39.96 -60.99 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.586 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 10.6 m -38.73 -70.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HE ' ' CD2' ' A' ' 15' ' ' LEU . 13.5 ttt180 -51.38 -41.81 60.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.449 ' CD ' ' OE2' ' A' ' 117' ' ' GLU . 18.5 mt-30 -58.78 -36.64 74.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.566 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -108.6 16.81 34.0 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.533 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CZ3' ' CD2' ' A' ' 127' ' ' TYR . 0.9 OUTLIER -92.16 -66.96 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.717 0.294 . . . . 0.0 110.946 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.85 -35.32 76.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -44.58 -23.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.566 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.4 OUTLIER -121.46 -35.57 3.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CD2' ' CZ3' ' A' ' 123' ' ' TRP . 2.0 m-85 -64.28 -67.16 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -93.8 -66.95 0.88 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 128' ' ' PHE . 6.9 mm-40 -35.31 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -79.43 -69.34 1.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 29' ' ' VAL . 71.4 mt -47.83 -41.8 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -53.54 -30.0 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -99.13 -57.81 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 95.9 m -50.28 -57.65 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.481 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.8 m-85 -84.44 -22.46 30.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.6 37.59 11.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.3 m-30 -100.17 29.22 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.948 0.404 . . . . 0.0 110.966 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.59 154.63 16.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.793 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -98.38 -47.51 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.082 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -103.18 160.86 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -92.61 -160.21 35.64 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.12 172.06 16.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 m -149.08 154.97 40.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.806 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.7 p -98.71 105.7 17.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -97.92 93.99 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -143.2 133.14 24.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.18 119.47 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -116.72 42.74 2.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 136.73 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.19 -176.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.86 137.13 20.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -80.29 150.15 19.74 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -140.96 176.56 8.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.63 170.88 19.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -96.74 135.77 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' MET . 41.5 mm -118.44 91.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.38 118.16 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD21 ' CG ' ' A' ' 120' ' ' ARG . 4.5 mt -125.77 123.15 38.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 103.0 10.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -121.38 142.29 50.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -94.22 146.42 24.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -121.23 138.26 54.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.938 HD21 ' HB2' ' A' ' 139' ' ' ALA . 2.4 mm? -80.85 39.54 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 t -144.4 167.5 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -80.43 150.74 71.03 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.616 0.722 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 -63.02 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.369 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -39.22 -41.74 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -66.97 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 tp -55.93 -21.98 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.31 -15.61 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.7 mtp180 -97.32 -47.79 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.529 HG11 ' CD1' ' A' ' 131' ' ' ILE . 48.5 t -47.77 -19.88 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' HD11 ' A' ' 46' ' ' LEU . 23.8 m-85 -106.7 -21.23 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 42.1 p -114.21 20.94 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.79 ' O ' HG23 ' A' ' 36' ' ' VAL . 18.3 m -136.17 105.07 5.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -42.59 -63.33 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -40.17 -64.88 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 43.6 mt -44.85 -39.48 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 32' ' ' THR . 12.9 t -63.94 -48.84 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 13.0 mt-30 -64.18 -3.79 3.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -89.1 -49.23 6.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 40' ' ' THR . 3.7 p90 -87.28 -8.25 56.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 81.5 p -106.2 -16.97 14.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 39.96 40.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -151.85 151.22 27.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.94 92.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.66 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.69 138.72 50.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.3 m -125.0 99.71 6.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD13 HG21 ' A' ' 36' ' ' VAL . 2.3 tt -106.99 139.98 40.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -131.06 95.95 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.54 94.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -174.26 146.36 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -58.98 103.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 103.62 -0.75 45.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.453 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.41 177.84 7.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -121.87 132.13 54.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 13.9 p90 -119.93 116.21 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.643 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -116.87 136.5 52.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 177.41 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 t 61.24 49.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.2 t70 59.62 25.15 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.643 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.35 27.42 33.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -97.41 -18.18 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.926 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 78' ' ' TRP . 65.0 t -131.35 116.1 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 p -123.04 177.99 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.567 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.67 -165.22 34.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -150.16 138.94 20.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.4 m-30 -81.26 118.58 22.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.6 p -97.69 -39.14 9.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -141.36 145.5 35.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 31.8 mt -144.01 110.85 5.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 73' ' ' HIS . 17.4 t -110.43 138.9 21.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 111.157 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 65.4 Cg_exo -47.95 112.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 54.6 mt-10 29.94 48.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 5.8 mtpt -126.65 -59.38 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.97 162.67 23.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.526 HG23 HD23 ' A' ' 68' ' ' LEU . 71.5 mt -138.97 129.5 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 4.4 t -118.15 121.17 66.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -151.23 173.01 14.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -95.73 153.28 17.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.539 ' CE2' HG11 ' A' ' 61' ' ' VAL . 6.7 t90 -138.11 143.76 40.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.599 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 5.2 ptm180 -172.35 163.73 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.59 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.4 m-85 -97.63 162.29 13.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -74.33 -2.9 27.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.0 t -112.97 -14.9 12.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.59 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 13.5 m0 -53.5 159.73 2.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.28 -177.37 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -83.59 135.84 34.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 49.39 51.83 25.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -134.95 100.92 4.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.599 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 5.0 m-85 -120.22 170.52 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.06 131.41 53.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.487 ' C ' HD12 ' A' ' 91' ' ' ILE . 21.8 m -76.99 115.95 17.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 90' ' ' THR . 2.0 mp -115.26 138.08 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 75' ' ' VAL . 97.7 m -132.03 101.35 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 104' ' ' LEU . 44.2 mt -87.71 153.9 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -141.6 139.57 33.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -110.43 126.28 54.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 34.1 mt -119.82 156.21 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 5.0 t70 -106.91 130.8 54.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -124.05 14.08 9.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.21 50.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.17 -28.64 2.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -131.05 168.59 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 96' ' ' ILE . 99.7 m -131.81 123.6 27.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -91.12 104.2 16.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 93' ' ' LEU . 29.6 tp -85.32 103.92 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.75 93.9 9.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.597 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 1.1 tmm? -82.09 132.37 35.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.481 ' N ' ' SD ' ' A' ' 106' ' ' MET . 0.6 OUTLIER -134.3 120.04 19.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -126.52 139.19 11.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.561 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -140.31 107.71 5.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.99 5.69 2.38 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.13 122.56 87.36 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.59 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -48.06 125.08 11.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -50.45 -45.66 84.42 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.578 0.704 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 50.4 Cg_exo -55.83 -20.89 30.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -122.5 2.6 9.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -47.3 -33.42 5.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -84.81 -61.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.75 -53.59 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.824 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 61.3 m -44.8 -58.61 2.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.496 ' CG ' HD21 ' A' ' 15' ' ' LEU . 6.1 ttp-105 -62.04 -38.12 87.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -56.63 -45.03 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.6 28.39 15.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.522 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.796 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.5 OUTLIER -95.5 -67.37 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.591 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 3.5 mt-30 -67.69 -30.99 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.7 mtt-85 -47.98 -29.41 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -114.64 -33.73 5.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.796 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -65.34 -66.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.27 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 128' ' ' PHE . 9.5 mm-40 -33.22 -34.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -73.46 -48.04 19.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.529 ' CD1' HG11 ' A' ' 29' ' ' VAL . 54.8 mt -72.78 -46.65 52.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -47.46 -29.2 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -100.15 -48.65 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 85.0 m -57.91 -57.35 13.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.505 ' CD1' HG23 ' A' ' 131' ' ' ILE . 9.9 m-85 -86.92 -18.02 31.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.822 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.72 31.77 26.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.5 m-30 -95.06 31.35 1.91 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.939 0.4 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -108.76 169.68 14.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.938 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -132.81 -63.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -140.53 122.86 15.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -74.08 167.22 54.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.9 159.91 30.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.5 p -129.63 43.95 3.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.4 m -135.76 145.05 46.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.496 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -142.78 176.46 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.5 t -65.63 150.69 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.34 58.99 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -122.6 140.31 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.873 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -133.0 101.56 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.29 -178.03 42.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -99.97 137.64 20.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -78.11 149.11 25.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.0 p -141.92 178.28 7.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -154.14 -177.88 6.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -106.28 142.78 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.458 HD11 ' HG3' ' A' ' 116' ' ' GLU . 24.4 mm -122.82 87.14 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -95.8 114.28 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' NE ' ' A' ' 120' ' ' ARG . 9.9 mt -125.1 121.96 35.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -118.31 107.41 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -129.65 141.63 50.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.7 m -91.59 149.12 21.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -121.32 142.49 49.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.711 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.5 mm? -80.54 40.1 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 t -147.53 167.27 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -79.3 153.04 76.65 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.91 -60.51 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.719 2.28 . . . . 0.0 112.381 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 13.1 pt-20 -42.49 -54.66 3.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 6.1 tp10 -51.08 -46.74 61.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.4 tp -76.35 -9.85 58.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' GLU . 8.2 t80 -69.78 -35.11 74.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.969 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -83.14 -48.78 10.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG22 ' CE2' ' A' ' 135' ' ' PHE . 60.9 t -41.19 -27.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' O ' HD11 ' A' ' 46' ' ' LEU . 37.7 m-85 -102.45 -24.9 13.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ARG . 39.0 p -111.48 31.01 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.93 ' O ' HG23 ' A' ' 36' ' ' VAL . 27.7 m -143.24 112.08 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 56.8 tt0 -48.73 -60.89 2.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -43.86 -62.64 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 47.0 mt -48.05 -34.16 9.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 32' ' ' THR . 36.8 t -69.95 -48.85 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.1 mt-30 -64.21 -3.59 2.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.64 -49.74 6.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 6.5 p90 -87.48 -3.32 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.538 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 78.6 p -111.86 -15.57 13.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 40' ' ' THR . 88.9 m-70 37.92 41.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -151.32 150.7 27.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 91.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.688 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.06 140.02 48.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 51.6 m -126.41 99.69 5.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -107.3 140.75 39.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -132.34 95.91 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -61.41 95.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 3.2 m-20 -175.14 145.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -59.33 98.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.34 -3.18 31.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.18 175.73 6.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.507 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -119.02 131.86 56.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 19.4 p90 -120.15 117.02 26.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.647 ' CE1' ' C ' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -118.17 136.64 53.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 177.35 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 57' ' ' VAL . 9.5 t 62.39 47.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 t0 61.59 25.72 15.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.647 ' C ' ' CE1' ' A' ' 55' ' ' HIS . . . 85.18 27.1 34.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.47 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' LYS . 17.6 m-80 -97.88 -17.53 19.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 80' ' ' PHE . 99.3 t -131.6 116.14 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 80.3 p -123.47 177.7 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . 178.51 -163.12 30.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' CD ' ' CE ' ' A' ' 77' ' ' LYS . 5.3 pt-20 -152.97 138.45 17.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.795 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.0 m-85 -80.27 128.33 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.7 p -109.71 -33.88 6.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.84 143.35 31.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.795 HD21 ' CD2' ' A' ' 65' ' ' PHE . 90.9 mt -143.89 108.65 4.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG23 ' CD2' ' A' ' 73' ' ' HIS . 18.8 t -109.96 138.92 20.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.4 Cg_exo -47.94 111.81 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.642 2.228 . . . . 0.0 112.35 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 70' ' ' PRO . 48.8 mt-10 30.46 48.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 2.4 mtpm? -127.07 -59.21 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.663 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -164.07 162.76 23.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.671 HG23 HD23 ' A' ' 68' ' ' LEU . 61.1 mt -141.76 125.47 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.683 HG22 HG23 ' A' ' 92' ' ' THR . 3.7 t -115.08 122.04 68.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.46 169.35 22.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.484 ' CE ' ' CD ' ' A' ' 64' ' ' GLU . 31.2 mtmt -88.82 149.82 23.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE2' HG11 ' A' ' 61' ' ' VAL . 8.1 t90 -134.89 131.94 37.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HA ' ' CZ3' ' A' ' 83' ' ' TRP . 4.8 ptm180 -157.61 166.92 31.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.605 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -101.73 171.65 7.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' CD ' ' O ' ' A' ' 81' ' ' LYS . 0.3 OUTLIER -80.03 -13.72 59.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 p -112.53 11.91 19.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 80' ' ' PHE . 7.3 m0 -79.74 161.87 64.87 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.578 0.704 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 43.0 Cg_endo -67.1 137.39 44.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 86' ' ' GLY . 5.5 tp10 -50.61 151.26 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . 50.93 41.2 44.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 8.9 t60 -139.52 103.77 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.539 ' CE2' ' CD ' ' A' ' 79' ' ' ARG . 14.3 m-85 -127.76 172.04 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.73 130.89 53.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.6 m -79.01 103.57 9.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mp -104.1 131.72 52.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.683 HG23 HG22 ' A' ' 75' ' ' VAL . 92.3 m -126.68 99.28 5.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.525 HD22 HD21 ' A' ' 104' ' ' LEU . 64.8 mt -82.48 157.48 23.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.29 131.65 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -103.37 121.91 43.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mt -114.83 149.46 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -98.83 129.8 45.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -124.45 13.03 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t30 73.82 49.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.16 -31.72 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -123.27 169.51 11.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.2 m -133.47 121.72 22.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -91.8 103.83 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 128' ' ' PHE . 15.1 tp -85.0 102.15 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.6 t -87.82 94.1 9.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.591 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.61 130.65 35.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' OE2' ' NH1' ' A' ' 109' ' ' ARG . 9.0 tt0 -134.85 98.19 3.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -112.36 139.14 15.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' NH1' ' OE2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -137.85 116.9 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 130.26 4.21 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.444 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.53 127.03 92.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.597 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.7 Cg_exo -47.96 129.26 17.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.733 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -55.79 -41.97 93.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.163 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.733 ' HD2' ' N ' ' A' ' 113' ' ' ALA . 48.5 Cg_endo -73.08 -9.93 23.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.349 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -117.98 -8.63 10.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 13' ' ' ILE . 42.5 tt0 -42.14 -48.42 4.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -63.64 -70.1 0.24 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.5 ttt85 -39.85 -54.4 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.422 HG23 ' CZ3' ' A' ' 78' ' ' TRP . 25.9 m -49.44 -70.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.463 ' NE ' HD21 ' A' ' 15' ' ' LEU . 6.9 ttt85 -52.63 -27.86 18.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -71.51 -39.37 70.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.481 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -110.69 25.77 14.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.791 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.2 t90 -93.16 -67.32 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.566 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 3.3 mt-30 -67.04 -35.87 80.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -44.84 -26.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.57 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -116.91 -39.91 3.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.791 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -60.05 -66.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -93.22 -67.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 128' ' ' PHE . 8.4 mm-40 -34.76 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -77.09 -44.05 14.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 127' ' ' TYR . 44.8 mt -74.65 -45.27 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.165 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -52.11 -29.12 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -99.63 -55.28 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 97.7 m -54.72 -55.74 26.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 4.8 m-85 -85.15 -23.24 28.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.16 10.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 14.3 m-30 -99.38 27.92 4.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.944 0.402 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.451 ' C ' HD23 ' A' ' 20' ' ' LEU . . . -107.09 152.19 16.89 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.711 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -92.69 124.14 36.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 58.6 m -71.23 113.84 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.49 -157.8 8.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.77 141.51 8.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.8 m -89.5 42.62 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 49.1 m -79.59 117.58 20.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -81.53 132.64 35.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.6 p -82.36 152.43 26.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.97 -83.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 p -92.37 177.05 6.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -102.62 141.83 34.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 179.97 16.23 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.97 137.33 19.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -79.81 147.03 19.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -138.76 175.08 9.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.16 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -150.67 172.97 14.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -98.41 143.5 28.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.74 HG12 HD13 ' A' ' 111' ' ' ILE . 43.5 mm -120.36 86.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.78 115.4 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD22 ' NE2' ' A' ' 124' ' ' GLN . 4.5 mt -128.98 124.85 36.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.07 100.89 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.7 tp10 -111.64 148.6 33.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 m -110.42 128.63 55.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.39 143.68 35.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.6 mm? -81.55 36.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.5 t -141.51 171.85 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 m -85.71 157.66 57.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -48.01 -53.78 6.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' HB2' ' CD ' ' A' ' 71' ' ' GLU . 4.9 tt0 -49.22 -58.98 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HD2' ' A' ' 28' ' ' ARG . 3.2 tp10 -48.17 -45.59 33.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.95 -9.49 59.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.64 -33.91 71.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HB2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -84.17 -45.32 13.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.585 HG22 ' CE2' ' A' ' 135' ' ' PHE . 89.6 t -44.48 -26.51 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -103.94 -23.15 13.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.6 p -112.55 31.07 6.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.889 ' O ' HG23 ' A' ' 36' ' ' VAL . 20.2 m -143.44 111.11 5.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.2 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 55.9 tt0 -48.95 -56.65 8.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -47.49 -62.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 28' ' ' ARG . 54.1 mt -48.79 -32.08 8.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 32' ' ' THR . 43.1 t -72.11 -45.27 63.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.661 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 11.7 mt-30 -66.79 -2.65 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.43 -50.67 5.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.9 p90 -88.13 4.01 47.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 36' ' ' VAL . 73.0 p -117.05 -18.05 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 40.78 46.28 2.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -160.53 149.63 13.81 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.98 92.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.661 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.79 136.82 51.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 18.1 m -121.36 100.34 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 36' ' ' VAL . 2.4 tt -111.43 138.65 47.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -130.02 98.03 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.41 95.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -174.8 146.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 66' ' ' THR . 2.6 mtp-105 -58.86 102.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 107.09 -7.34 37.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.35 176.89 6.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.435 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -120.32 145.75 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HA3' ' A' ' 63' ' ' GLY . 22.7 p90 -129.96 117.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -122.56 132.71 54.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.41 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -148.21 165.24 31.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 HG23 ' C ' ' A' ' 56' ' ' MET . 6.6 t 74.47 54.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 t0 51.36 40.37 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.583 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 65.14 53.91 30.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' O ' ' N ' ' A' ' 81' ' ' LYS . 4.9 m-80 -118.97 -26.31 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.905 0.383 . . . . 0.0 110.874 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.473 HG11 ' CE2' ' A' ' 78' ' ' TRP . 87.3 t -127.46 116.19 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 p -122.6 172.34 8.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.7 -163.32 29.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 4.5 pt-20 -151.09 137.1 18.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.734 ' HD2' HD11 ' A' ' 68' ' ' LEU . 4.1 m-30 -78.39 119.12 21.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.44 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 41.9 p -100.76 -38.23 8.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -139.03 143.34 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.734 HD11 ' HD2' ' A' ' 65' ' ' PHE . 90.1 mt -143.82 111.31 5.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG1' ' HB2' ' A' ' 72' ' ' LYS . 21.2 t -113.1 139.1 22.63 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.649 0.738 . . . . 0.0 111.144 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 71' ' ' GLU . 65.4 Cg_exo -48.02 113.99 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.368 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' C ' ' O ' ' A' ' 70' ' ' PRO . 39.5 mt-10 28.14 48.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -127.26 -57.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.6 ' CE1' HG23 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.71 163.04 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.685 HG23 HD23 ' A' ' 68' ' ' LEU . 68.5 mt -141.46 128.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.748 HG22 HG23 ' A' ' 92' ' ' THR . 21.2 t -116.1 122.84 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.442 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 1.4 ptt? -151.58 172.88 15.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' HE2' ' CD ' ' A' ' 64' ' ' GLU . 38.1 mtmt -92.66 151.2 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.473 ' CE2' HG11 ' A' ' 61' ' ' VAL . 5.7 t90 -136.09 139.81 43.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -170.38 166.88 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.8 m-85 -101.72 163.45 12.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -74.25 -2.92 27.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.5 t -114.28 -13.29 12.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.598 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.2 m0 -57.15 157.79 11.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.573 0.701 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.76 164.36 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.264 . . . . 0.0 112.373 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.48 127.97 34.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.97 42.92 96.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 112' ' ' PRO . 8.3 t60 -132.61 100.23 4.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.336 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 17.0 m-85 -118.5 169.38 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.72 134.45 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.101 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.584 ' C ' HD12 ' A' ' 91' ' ' ILE . 17.4 m -80.89 112.31 18.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.584 HD12 ' C ' ' A' ' 90' ' ' THR . 1.5 mp -112.23 138.62 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.748 HG23 HG22 ' A' ' 75' ' ' VAL . 42.0 m -131.16 100.39 5.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.508 HD22 HD11 ' A' ' 104' ' ' LEU . 52.3 mt -86.15 151.89 23.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -140.56 135.22 31.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -105.26 122.09 45.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.467 HD12 ' HB3' ' A' ' 103' ' ' GLU . 60.1 mt -111.78 144.71 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.84 126.09 39.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.78 12.8 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.02 47.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 141.34 -34.24 1.92 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -125.2 145.65 49.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.2 m -109.47 123.81 50.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.467 ' HB3' HD12 ' A' ' 96' ' ' ILE . 26.8 tt0 -91.64 104.65 17.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD23 ' CE1' ' A' ' 128' ' ' PHE . 29.3 tp -86.77 107.15 18.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.9 t -93.5 93.91 8.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.6 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -79.01 123.82 27.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.43 97.83 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -110.01 142.4 16.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.46 112.6 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.28 2.45 2.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.74 HD13 HG12 ' A' ' 13' ' ' ILE . 2.2 mp -68.1 119.68 68.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.598 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.4 Cg_exo -47.93 125.04 10.89 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -49.77 -47.16 80.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 111.101 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 52.5 Cg_exo -54.85 -34.98 87.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -110.11 18.61 19.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -60.03 -48.25 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -67.21 -62.21 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -40.3 -52.63 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 64.3 m -53.53 -69.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -49.94 -19.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -85.86 -35.09 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -111.26 22.51 20.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.805 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.1 t90 -95.27 -67.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.715 0.293 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.596 ' HG2' ' CE2' ' A' ' 128' ' ' PHE . 5.7 mt-30 -66.85 -30.42 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -46.93 -30.86 2.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -113.66 -36.22 4.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.805 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.7 m-85 -61.75 -66.56 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CE2' ' HG2' ' A' ' 124' ' ' GLN . 1.0 OUTLIER -93.53 -66.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 128' ' ' PHE . 21.6 mt-10 -33.6 -34.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -75.75 -68.75 1.49 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.475 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.513 HD13 HG11 ' A' ' 29' ' ' VAL . 58.9 mt -48.09 -43.26 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.876 0.37 . . . . 0.0 111.146 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -52.85 -28.29 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -98.35 -55.94 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 93.8 m -53.83 -56.96 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.585 ' CE2' HG22 ' A' ' 29' ' ' VAL . 5.0 m-85 -84.12 -22.16 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.93 34.09 25.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 17.4 m-30 -95.75 27.27 3.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.922 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -111.43 155.83 15.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.792 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -113.75 -46.37 3.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.756 0.312 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.6 p -163.36 158.24 21.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -135.76 164.79 24.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.18 122.24 6.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.4 t -50.6 98.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.3 t -108.02 98.69 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -108.88 118.29 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 p -174.63 164.64 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.01 150.63 6.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.9 t -169.89 147.01 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -56.61 119.15 5.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.01 -178.33 42.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.02 138.13 19.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 111.131 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -75.8 146.06 29.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 p -140.07 178.85 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -151.93 -177.81 6.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -106.31 141.48 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 13' ' ' ILE . 45.9 mm -125.45 83.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 m -99.77 116.22 31.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 124' ' ' GLN . 9.9 mt -119.46 125.39 48.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 mtmm -118.37 105.42 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -129.12 155.61 45.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.5 m -104.2 144.43 31.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -118.56 142.69 47.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.856 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.2 mm? -80.33 40.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -147.68 166.85 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 m -80.0 155.52 75.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.625 0.726 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -47.98 -59.13 1.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.367 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' ' 71' ' ' GLU . 15.5 pt-20 -46.05 -55.33 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 tp10 -47.99 -44.93 31.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 tp -82.27 -9.29 59.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -73.42 -28.35 61.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -88.8 -45.13 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.9 t -46.53 -26.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -102.04 -19.6 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.2 p -115.97 23.51 12.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 36' ' ' VAL . 12.9 m -134.85 105.97 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 45' ' ' THR . 53.4 tt0 -44.46 -56.87 3.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -46.91 -63.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD12 ' HB ' ' A' ' 32' ' ' THR . 61.6 mt -48.44 -33.44 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 32' ' ' THR . 37.3 t -70.18 -40.25 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.729 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 12.9 mt-30 -72.17 -3.15 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.09 -52.83 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 8.0 p90 -84.39 -0.59 53.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 36' ' ' VAL . 33.4 p -113.22 -18.54 12.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 41.18 44.63 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.29 150.58 17.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.94 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.364 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -112.83 138.31 49.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' GLN . 23.7 m -123.41 99.73 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 36' ' ' VAL . 2.5 tt -110.57 135.57 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -127.05 97.01 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.63 95.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -174.88 149.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 mtm-85 -60.01 98.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 108.45 -4.05 32.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.11 164.38 32.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.39 142.84 36.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 22.0 p90 -128.65 118.17 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.578 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.4 OUTLIER -121.63 133.71 54.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.44 164.25 34.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t 74.2 54.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t0 53.24 37.09 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 68.11 48.39 53.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' LYS . 3.1 m-80 -113.1 -24.31 9.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.367 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.632 HG11 ' CE2' ' A' ' 78' ' ' TRP . 90.7 t -128.59 116.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.8 p -123.11 170.94 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.541 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -177.2 -164.35 30.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -150.45 137.43 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.845 ' CD2' HD21 ' A' ' 68' ' ' LEU . 3.1 m-85 -78.28 126.53 30.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.5 p -108.48 -34.92 6.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -141.53 141.11 33.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.845 HD21 ' CD2' ' A' ' 65' ' ' PHE . 83.7 mt -142.86 112.07 6.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 73' ' ' HIS . 16.6 t -114.71 138.82 23.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 69' ' ' VAL . 64.0 Cg_exo -48.0 111.65 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.655 2.237 . . . . 0.0 112.396 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 70' ' ' PRO . 75.9 mt-10 30.06 48.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 7.1 mtpp -126.67 -58.45 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.653 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -165.12 163.46 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.529 HG23 HD23 ' A' ' 68' ' ' LEU . 71.8 mt -140.76 130.27 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.875 HG22 HG23 ' A' ' 92' ' ' THR . 5.0 t -120.8 117.98 54.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -148.49 171.94 15.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -90.94 153.14 20.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.632 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.6 t90 -139.2 139.69 37.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 4.9 ptm180 -168.48 166.41 12.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.581 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 2.8 m-85 -99.66 158.98 15.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -70.37 -3.53 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.8 t -112.65 -15.1 13.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.591 ' CH2' ' HD2' ' A' ' 112' ' ' PRO . 13.5 m0 -56.22 157.26 9.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.589 0.709 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.27 173.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -81.91 130.08 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.09 38.31 95.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -128.62 99.49 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 2.3 m-85 -120.86 171.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -122.26 129.89 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.418 ' C ' HD12 ' A' ' 91' ' ' ILE . 27.9 m -77.41 107.99 10.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.8 mp -107.23 140.55 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.146 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.875 HG23 HG22 ' A' ' 75' ' ' VAL . 58.0 m -134.19 100.44 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 106' ' ' MET . 67.4 mt -84.24 167.13 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -154.41 133.94 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.68 124.17 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 97' ' ' ASP . 38.6 mt -117.42 155.85 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' N ' HG22 ' A' ' 96' ' ' ILE . 1.4 t70 -104.4 132.52 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -127.17 14.12 7.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.21 50.17 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.69 -32.67 2.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -125.48 162.07 25.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.411 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.4 m -125.37 123.04 38.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -91.39 103.73 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 128' ' ' PHE . 22.8 tp -84.77 104.35 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 12.9 t -90.72 93.47 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.593 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.1 OUTLIER -83.26 132.47 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.06 115.93 12.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -124.83 143.55 14.67 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.48 110.68 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 135.84 5.68 2.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.98 126.48 90.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.591 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 65.6 Cg_exo -47.95 132.01 21.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.747 2.298 . . . . 0.0 112.308 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.713 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . . . -56.94 -49.32 94.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.625 0.726 . . . . 0.0 111.104 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.713 ' HD3' ' HB3' ' A' ' 113' ' ' ALA . 37.7 Cg_exo -60.81 -37.02 81.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.375 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.489 ' CD ' ' HB2' ' A' ' 112' ' ' PRO . 2.3 mp0 -96.52 -3.98 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 112' ' ' PRO . 80.9 tt0 -43.05 -59.97 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -56.83 -58.53 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.3 ttt85 -44.16 -41.67 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 51.4 m -60.42 -69.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -53.18 -20.89 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -77.83 -34.46 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -116.4 21.36 11.82 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.801 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 0.7 OUTLIER -92.1 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.681 0.277 . . . . 0.0 110.907 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.592 ' HG2' ' CD2' ' A' ' 128' ' ' PHE . 4.5 mt-30 -67.35 -28.92 68.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -48.45 -24.87 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -120.68 -36.35 3.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.801 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -63.86 -66.95 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.592 ' CD2' ' HG2' ' A' ' 124' ' ' GLN . 1.3 m-30 -93.11 -67.39 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 128' ' ' PHE . 25.8 mt-10 -35.98 -30.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -80.17 -68.22 1.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.549 HD12 ' O ' ' A' ' 127' ' ' TYR . 53.0 mt -48.46 -42.78 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.943 0.401 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.0 mttt -53.09 -27.65 21.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -99.35 -56.22 2.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 61.2 m -51.29 -59.33 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -84.84 -23.0 29.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.14 36.76 9.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -97.39 29.43 3.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.925 0.393 . . . . 0.0 110.92 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -110.2 166.98 12.53 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.856 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -125.89 -50.23 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.3 t -168.83 117.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -177.59 157.92 22.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -47.03 115.34 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 65.5 m -95.37 126.12 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 78.6 p -77.25 -45.92 24.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.83 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -91.4 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 p -100.42 171.71 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 43.55 0.19 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 58.1 m -139.75 132.25 28.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 0.0 110.84 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.9 t -35.75 119.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.2 -179.16 28.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.499 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.43 139.15 20.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.583 0.706 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.65 147.79 25.24 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.8 p -140.42 174.02 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -146.87 177.99 8.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.8 OUTLIER -105.19 143.14 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.661 HG12 HD13 ' A' ' 111' ' ' ILE . 36.3 mm -126.08 82.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -96.92 115.09 26.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -120.88 134.68 55.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.7 101.16 6.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -117.24 153.32 33.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -106.24 127.47 53.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -104.41 139.74 38.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 139' ' ' ALA . 3.8 mm? -81.68 39.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.5 t -144.68 163.49 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.8 m -76.78 153.61 83.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -47.96 -60.2 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -42.56 -35.23 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.22 -69.3 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 tp -56.41 -22.83 34.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -61.92 -28.11 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' THR . 4.2 mtt-85 -84.12 -54.47 4.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.448 HG22 ' CE2' ' A' ' 135' ' ' PHE . 22.6 t -41.27 -30.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -95.35 -25.24 16.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' ARG . 35.6 p -113.14 29.18 8.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 36' ' ' VAL . 21.4 m -144.55 105.02 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -42.88 -65.01 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -38.94 -61.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 32' ' ' THR . 41.1 mt -48.74 -36.19 15.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.671 HG21 HD13 ' A' ' 46' ' ' LEU . 41.0 t -67.38 -45.68 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' ' 44' ' ' ALA . 13.4 mt-30 -66.89 -2.68 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.17 -50.5 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 36' ' ' VAL . 9.7 p90 -89.06 7.42 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 36' ' ' VAL . 65.3 p -120.08 -21.24 7.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 44.21 43.99 6.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -158.31 150.18 17.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.631 0.729 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 93.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.319 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.686 ' HB3' ' HG3' ' A' ' 37' ' ' GLN . . . -114.16 140.07 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.1 m -126.0 99.35 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.671 HD13 HG21 ' A' ' 36' ' ' VAL . 2.2 tt -108.92 138.33 45.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -129.18 96.88 4.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 49' ' ' ASP . . . -63.09 96.05 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 48' ' ' ALA . 4.4 m-20 -175.26 147.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -59.5 98.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' PHE . . . 109.61 -5.2 31.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.47 167.28 19.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -112.41 136.74 51.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 25.0 p90 -121.96 118.65 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.566 ' CE1' ' HA2' ' A' ' 59' ' ' GLY . 0.3 OUTLIER -121.09 132.84 55.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.68 168.1 23.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 t 71.77 54.42 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.34 31.35 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 55' ' ' HIS . . . 74.09 49.57 12.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' LYS . 8.1 m-80 -115.29 -20.74 10.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.841 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.759 HG11 ' CE2' ' A' ' 78' ' ' TRP . 98.5 t -130.92 116.5 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.5 p -129.95 152.32 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 54' ' ' PHE . . . -157.53 -158.84 9.17 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' CD ' ' HE2' ' A' ' 77' ' ' LYS . 7.6 pt-20 -151.53 134.93 16.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.837 ' CD2' HD21 ' A' ' 68' ' ' LEU . 2.9 m-85 -76.25 122.32 24.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.5 p -103.19 -36.97 7.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.47 142.81 33.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.837 HD21 ' CD2' ' A' ' 65' ' ' PHE . 56.5 mt -143.54 111.23 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.551 HG23 ' CD2' ' A' ' 73' ' ' HIS . 22.2 t -111.19 138.98 21.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.629 0.728 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 71' ' ' GLU . 63.8 Cg_exo -47.9 114.47 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.703 2.269 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' C ' ' O ' ' A' ' 70' ' ' PRO . 55.8 mt-10 27.81 49.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . 1.5 mmmm -127.58 -59.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.656 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -163.01 163.16 26.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.475 HG23 HD23 ' A' ' 68' ' ' LEU . 79.8 mt -138.54 129.03 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.656 ' CG2' ' CE1' ' A' ' 73' ' ' HIS . 9.9 t -119.3 119.61 61.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -151.17 175.73 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HD2' ' CB ' ' A' ' 88' ' ' PHE . 39.1 mtmt -95.22 154.2 17.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.759 ' CE2' HG11 ' A' ' 61' ' ' VAL . 4.5 t90 -142.62 130.87 22.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.571 ' HD3' ' CZ ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -157.91 163.74 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . 1.3 m-85 -97.28 155.64 16.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' ASN . 2.9 tmmm? -67.56 -2.7 7.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.2 t -113.01 -20.47 11.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.628 ' CD1' ' CD ' ' A' ' 115' ' ' GLU . 18.5 m0 -53.64 160.0 2.22 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.554 0.693 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.461 ' HG2' ' CB ' ' A' ' 87' ' ' HIS . 39.9 Cg_endo -64.66 140.89 70.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 86' ' ' GLY . 17.0 tt0 -53.36 149.3 7.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' A' ' 85' ' ' GLU . . . 55.78 36.03 64.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.461 ' CB ' ' HG2' ' A' ' 84' ' ' PRO . 5.9 t60 -135.29 102.73 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.832 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' A' ' 79' ' ' ARG . 50.3 m-85 -126.66 165.88 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.96 131.47 56.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.6 m -76.23 106.62 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 91' ' ' ILE . 1.9 mp -107.73 127.96 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG22 ' A' ' 75' ' ' VAL . 28.0 m -126.1 100.21 6.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' A' ' 104' ' ' LEU . 41.8 mt -84.8 152.98 23.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -140.05 128.14 22.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.93 121.01 40.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -112.3 148.29 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -97.06 130.64 44.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.9 mmtt -127.01 13.62 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.65 51.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.97 -35.32 2.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -124.44 155.12 39.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.972 0.415 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -118.51 123.56 45.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -91.78 102.6 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 93' ' ' LEU . 31.4 tp -84.58 111.09 19.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 t -98.77 93.55 6.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.596 ' HG3' ' CH2' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -80.63 129.44 34.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -128.54 97.75 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.63 137.16 13.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.23 114.45 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 131.94 11.64 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 13' ' ' ILE . 4.1 mp -77.46 120.19 80.5 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.164 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.615 ' HD2' ' CH2' ' A' ' 83' ' ' TRP . 64.8 Cg_exo -48.02 127.52 15.01 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.642 ' N ' ' CD ' ' A' ' 114' ' ' PRO . . . -54.14 -41.66 89.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.578 0.704 . . . . 0.0 111.067 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 113' ' ' ALA . 69.7 Cg_exo -51.84 -30.81 39.95 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.374 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.628 ' CD ' ' CD1' ' A' ' 83' ' ' TRP . 1.8 pt-20 -129.75 29.01 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.59 -41.78 98.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -75.24 -57.72 3.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -38.06 -55.96 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 123' ' ' TRP . 30.1 m -47.76 -69.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -42.36 -44.3 3.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -64.33 -33.15 75.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.567 ' O ' ' CE2' ' A' ' 126' ' ' TYR . . . -107.14 10.8 40.22 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.445 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.794 ' CH2' ' CE2' ' A' ' 127' ' ' TYR . 1.0 OUTLIER -90.17 -66.97 0.88 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.902 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.85 -33.18 75.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -48.93 -22.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.567 ' CE2' ' O ' ' A' ' 122' ' ' GLY . 0.5 OUTLIER -121.21 -37.51 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.794 ' CE2' ' CH2' ' A' ' 123' ' ' TRP . 1.5 m-85 -64.04 -66.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 128' ' ' PHE . 1.0 OUTLIER -93.2 -69.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 128' ' ' PHE . 70.7 mm-40 -32.7 -35.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' PHE . . . -76.13 -66.52 1.84 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 127' ' ' TYR . 61.7 mt -49.1 -39.37 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.494 ' HE2' ' CA ' ' A' ' 138' ' ' GLY . 30.1 mtpt -57.53 -27.72 62.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -98.92 -58.28 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -50.68 -60.32 3.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 137' ' ' TYR . 5.3 m-85 -82.26 -24.17 34.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.58 47.66 6.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 135' ' ' PHE . 18.6 m-30 -107.16 22.23 16.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 110.908 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.494 ' CA ' ' HE2' ' A' ' 132' ' ' LYS . . . -109.54 163.88 12.46 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.54 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -110.6 -42.36 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.782 0.325 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.2 t -158.37 113.24 2.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -127.59 -172.96 13.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.81 -170.58 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.634 2.222 . . . . 0.0 112.366 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.0 t -141.67 154.41 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.1 m -78.45 149.9 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 stop_ save_